Pentacarboxylic acids and derivatives
Pentacarboxylic acids and derivatives
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Filtered Search Results
Diethylenetriaminepentaacetic acid, 98+%, Thermo Scientific Chemicals
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.34 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
PubChem CID | 3053 |
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CAS | 67-43-6 |
Molecular Weight (g/mol) | 393.34 |
ChEBI | CHEBI:35739 |
SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
Molecular Formula | C14H23N3O10 |
Diethylenetriaminepentaacetic acid, 98+%, Thermo Scientific Chemicals
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 MDL Number: MFCD00004289 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
PubChem CID | 3053 |
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CAS | 67-43-6 |
Molecular Weight (g/mol) | 393.349 |
ChEBI | CHEBI:35739 |
MDL Number | MFCD00004289 |
SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
Molecular Formula | C14H23N3O10 |
Linear Formula | NaOCOCH2N(CH2CH2N(CH2COONa)2)2 |
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Molecular Weight (g/mol) | 503.26 |
InChI Key | LQPLDXQVILYOOL-UHFFFAOYSA-I |
Density | 1.2900g/mL |
PubChem CID | 8779 |
Name Note | 40% Aqueous Solution |
Percent Purity | 39 to 41% |
pH | 11.0 to 12.0 (1% aq. soln.) |
Formula Weight | 503.26 |
Melting Point | -40°C |
Boiling Point | 106°C |
Physical Form | Solution |
Chemical Name or Material | Diethylenetriaminepentaacetic acid, pentasodium salt |
Grade | Technical |
SMILES | [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
CAS | 7732-18-5 |
Health Hazard 3 | GHS P Statement Wash face,hands and any exposed skin thoroughly after handling. Wear eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Cont |
MDL Number | MFCD00051016 |
Health Hazard 2 | GHS H Statement Causes serious eye irritation. |
Solubility Information | Solubility in water: soluble. Other solubilities: mixible with many organic solvents |
Packaging | Glass bottle |
Flash Point | >100°C |
Health Hazard 1 | GHS Signal Word: Warning |
Refractive Index | 1.4185 to 1.4205 |
Synonym | pentasodium dtpa,tetralon b,trilon c,versenex 80,pentasodium pentetate,hamp-ex 80,detarex py,kiresuto p,chelest p,plexene d |
IUPAC Name | pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate |
Beilstein | 04, III, 1190 |
Molecular Formula | C14H18N3Na5O10 |
EINECS Number | 205-391-3 |
Specific Gravity | 1.29 |
Diethylenetriaminepentaacetic Acid 98.0+%, TCI America™
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CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 MDL Number: MFCD00004289 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
PubChem CID | 3053 |
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CAS | 67-43-6 |
Molecular Weight (g/mol) | 393.349 |
ChEBI | CHEBI:35739 |
MDL Number | MFCD00004289 |
SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
Molecular Formula | C14H23N3O10 |
Diethylenetriaminepentaacetic Acid, Pentasodium Salt, 41% Solution in Water, Spectrum™ Chemical
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CAS: 140-01-2 Molecular Formula: C14H18N3Na5O10 Molecular Weight (g/mol): 503.26 MDL Number: MFCD00051016 InChI Key: LQPLDXQVILYOOL-UHFFFAOYSA-I IUPAC Name: pentasodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
CAS | 140-01-2 |
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Molecular Weight (g/mol) | 503.26 |
MDL Number | MFCD00051016 |
SMILES | [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
IUPAC Name | pentasodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate |
InChI Key | LQPLDXQVILYOOL-UHFFFAOYSA-I |
Molecular Formula | C14H18N3Na5O10 |
Diethylenetriaminepentaacetic acid dianhydride, 95%, Thermo Scientific Chemicals
CAS: 23911-26-4 Molecular Formula: C14H19N3O8 Molecular Weight (g/mol): 357.319 MDL Number: MFCD00010697 InChI Key: RAZLJUXJEOEYAM-UHFFFAOYSA-N Synonym: dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid PubChem CID: 100825 IUPAC Name: 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid SMILES: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
PubChem CID | 100825 |
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CAS | 23911-26-4 |
Molecular Weight (g/mol) | 357.319 |
MDL Number | MFCD00010697 |
SMILES | C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O |
Synonym | dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid |
IUPAC Name | 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid |
InChI Key | RAZLJUXJEOEYAM-UHFFFAOYSA-N |
Molecular Formula | C14H19N3O8 |
Thapsigargin, 97%, Thermo Scientific Chemicals
CAS: 67526958 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N PubChem CID: 126969181 IUPAC Name: [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
PubChem CID | 126969181 |
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CAS | 67526958 |
Molecular Weight (g/mol) | 650.76 |
MDL Number | MFCD00083511 |
SMILES | CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
IUPAC Name | [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate |
InChI Key | IXFPJGBNCFXKPI-FSIHEZPISA-N |
Molecular Formula | C34H50O12 |
Thapsigargin, 99% (TLC), 97.6% (HPLC), MP Biomedicals™
CAS: 67526958 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N Synonym: thapsigargin,unii-z96bq26rzd,z96bq26rzd,chembl96926,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid, 6-acetyloxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy azuleno 4,5-b furan-7-yl ester, 3s-3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha z ,9balpha,tg1,--thapsigargin,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid 3s-3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester PubChem CID: 126969181 IUPAC Name: (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
PubChem CID | 126969181 |
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CAS | 67526958 |
Molecular Weight (g/mol) | 650.76 |
MDL Number | MFCD00083511 |
SMILES | CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
Synonym | thapsigargin,unii-z96bq26rzd,z96bq26rzd,chembl96926,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid, 6-acetyloxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy azuleno 4,5-b furan-7-yl ester, 3s-3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha z ,9balpha,tg1,--thapsigargin,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid 3s-3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester |
IUPAC Name | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate |
InChI Key | IXFPJGBNCFXKPI-FSIHEZPISA-N |
Molecular Formula | C34H50O12 |
Penta-O-acetyl-beta-D-glucopyranose 99.0+%, TCI America™
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CAS: 604-69-3 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD00006597 InChI Key: LPTITAGPBXDDGR-IBEHDNSVSA-N Synonym: beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β PubChem CID: 2724702 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
PubChem CID | 2724702 |
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CAS | 604-69-3 |
Molecular Weight (g/mol) | 390.341 |
MDL Number | MFCD00006597 |
SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Synonym | beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β |
IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
InChI Key | LPTITAGPBXDDGR-IBEHDNSVSA-N |
Molecular Formula | C16H22O11 |
Thermo Scientific Chemicals Thymolphthalexone
CAS: 1913-93-5 Molecular Formula: C38H44N2O12 Molecular Weight (g/mol): 720.77 MDL Number: MFCD00001619 InChI Key: AGXCADFSYJNMEG-UHFFFAOYNA-N Synonym: thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid PubChem CID: 112918 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C
PubChem CID | 112918 |
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CAS | 1913-93-5 |
Molecular Weight (g/mol) | 720.77 |
MDL Number | MFCD00001619 |
SMILES | CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C |
Synonym | thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid |
IUPAC Name | 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid |
InChI Key | AGXCADFSYJNMEG-UHFFFAOYNA-N |
Molecular Formula | C38H44N2O12 |
Thapsigargin, Tocris Bioscience™
CAS: 67526958 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N Synonym: thapsigargin,unii-z96bq26rzd,z96bq26rzd,chembl96926,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid, 6-acetyloxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy azuleno 4,5-b furan-7-yl ester, 3s-3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha z ,9balpha,tg1,--thapsigargin,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid 3s-3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester PubChem CID: 126969181 IUPAC Name: (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
PubChem CID | 126969181 |
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CAS | 67526958 |
Molecular Weight (g/mol) | 650.76 |
MDL Number | MFCD00083511 |
SMILES | CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
Synonym | thapsigargin,unii-z96bq26rzd,z96bq26rzd,chembl96926,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid, 6-acetyloxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy azuleno 4,5-b furan-7-yl ester, 3s-3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha z ,9balpha,tg1,--thapsigargin,octanoic acid 3s-3alpha, 3abeta, 4alpha, 6beta,6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester,octanoic acid 3s-3alpha, 3abeta, 4alpha,6beta, 6abeta, 7beta, 8alpha z , 9balpha-6-acetyloxy-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-2-methyl-1-oxo-2-butenyl oxy-2-oxo-4-1-oxobutoxy-azuleno 4,5-b furan-7-yl ester |
IUPAC Name | (3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate |
InChI Key | IXFPJGBNCFXKPI-FSIHEZPISA-N |
Molecular Formula | C34H50O12 |
beta-D-Galactose pentaacetate, 98%, Thermo Scientific Chemicals
CAS: 4163-60-4 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD00063259 InChI Key: LPTITAGPBXDDGR-LYYZXLFJSA-N Synonym: beta-d-galactose pentaacetate,penta-o-acetyl-beta-d-galactopyranose,b-d-galactose pentaacetate,beta-d-galactopyranose pentaacetate,beta-d-galactosepentaacetate,beta-d-galactopyranose, pentaacetate,2s,3r,4s,5s,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4,6-penta-o-acetyl-beta-d-galactose,1,2,3,4,6-penta-o-acetyl-beta-d-galactopyranose,2r,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate PubChem CID: 94752 IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
PubChem CID | 94752 |
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CAS | 4163-60-4 |
Molecular Weight (g/mol) | 390.341 |
MDL Number | MFCD00063259 |
SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Synonym | beta-d-galactose pentaacetate,penta-o-acetyl-beta-d-galactopyranose,b-d-galactose pentaacetate,beta-d-galactopyranose pentaacetate,beta-d-galactosepentaacetate,beta-d-galactopyranose, pentaacetate,2s,3r,4s,5s,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4,6-penta-o-acetyl-beta-d-galactose,1,2,3,4,6-penta-o-acetyl-beta-d-galactopyranose,2r,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate |
IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
InChI Key | LPTITAGPBXDDGR-LYYZXLFJSA-N |
Molecular Formula | C16H22O11 |
alpha-D-Glucose pentaacetate, 99%, Thermo Scientific Chemicals
CAS: 604-68-2 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064071,MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate PubChem CID: 2723636 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
PubChem CID | 2723636 |
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CAS | 604-68-2 |
Molecular Weight (g/mol) | 390.34 |
MDL Number | MFCD00064071,MFCD00064081 |
SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
Synonym | alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate |
IUPAC Name | [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
Molecular Formula | C16H22O11 |
Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucuronate, 98%, Thermo Scientific Chemicals
CAS: 7355-18-2 Molecular Formula: C15H20O11 Molecular Weight (g/mol): 376.314 MDL Number: MFCD00069834 InChI Key: DPOQCELSZBSZGX-XOBFJNJYSA-N Synonym: 2s,3r,4s,5s,6s-6-methoxycarbonyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,methyl o-tetraacetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 2s,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxane-2-carboxylate,1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronic acid methyl ester,a-d-glucopyranuronate,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate PubChem CID: 95087 IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
PubChem CID | 95087 |
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CAS | 7355-18-2 |
Molecular Weight (g/mol) | 376.314 |
MDL Number | MFCD00069834 |
SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C |
Synonym | 2s,3r,4s,5s,6s-6-methoxycarbonyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,methyl o-tetraacetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 2s,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxane-2-carboxylate,1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronic acid methyl ester,a-d-glucopyranuronate,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate |
IUPAC Name | methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate |
InChI Key | DPOQCELSZBSZGX-XOBFJNJYSA-N |
Molecular Formula | C15H20O11 |
alpha-D-Galactose pentaacetate, Thermo Scientific Chemicals
CAS: 4163-59-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose PubChem CID: 6432426 ChEBI: CHEBI:63145 IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
PubChem CID | 6432426 |
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CAS | 4163-59-1 |
Molecular Weight (g/mol) | 390.34 |
ChEBI | CHEBI:63145 |
MDL Number | MFCD00064081 |
SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
Synonym | alpha-d-galactose pentaacetate,a-d-galactose pentaacetate,pentaacetyl-alpha-d-galactose,alpha-d-galactose penta-acetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactopyranose,alpha-d-galactose-pentaacetate,1,2,3,4,6-pentaacetyl-alpha-d-galactose,alpha-d-galactose 1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-alpha-d-galactose,penta-o-acetyl-alpha-d-galactose |
IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
Molecular Formula | C16H22O11 |