Pentacarboxylic acids and derivatives
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Filtered Search Results
Diethylenetriaminepentaacetic acid, 98+%
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 |
|---|---|
| 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+%
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 |
|---|---|
| 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 dianhydride, 95%
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 |
|---|---|
| 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 |
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 |
|---|---|
| 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, 98%, Spectrum™ Chemical
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CAS: 67-43-6
| CAS | 67-43-6 |
|---|
Benzenepentacarboxylic Acid 98.0+%, TCI America™
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CAS: 1585-40-6 Molecular Formula: C11H6O10 Molecular Weight (g/mol): 298.159 MDL Number: MFCD00020281 InChI Key: QNSOHXTZPUMONC-UHFFFAOYSA-N PubChem CID: 15314 IUPAC Name: benzene-1,2,3,4,5-pentacarboxylic acid SMILES: C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 15314 |
|---|---|
| CAS | 1585-40-6 |
| Molecular Weight (g/mol) | 298.159 |
| MDL Number | MFCD00020281 |
| SMILES | C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | benzene-1,2,3,4,5-pentacarboxylic acid |
| InChI Key | QNSOHXTZPUMONC-UHFFFAOYSA-N |
| Molecular Formula | C11H6O10 |
Thermo Scientific Chemicals Diethylenetriaminepentaacetic acid, pentasodium salt, tech., 40% aqueous solution
CAS: 140-01-2 | C14H18N3Na5O10 | 503.26 g/mol
| Linear Formula | NaOCOCH2N(CH2CH2N(CH2COONa)2)2 |
|---|---|
| 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 |
Spectrum Chemical Manufacturing Corporation 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 |
|---|---|
| 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 Calcium Trisodium Salt Hydrate 98.0+%, TCI America™
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CAS: 207226-35-5 Molecular Formula: C14H20CaN3Na3O11 Molecular Weight (g/mol): 515.37 MDL Number: MFCD00150947 InChI Key: AWBWYUNJDQLQGT-UHFFFAOYSA-I Synonym: Calcium Trisodium Diethylenetriaminepentaacetate PubChem CID: 17749130 IUPAC Name: calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate SMILES: O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
| PubChem CID | 17749130 |
|---|---|
| CAS | 207226-35-5 |
| Molecular Weight (g/mol) | 515.37 |
| MDL Number | MFCD00150947 |
| SMILES | O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
| Synonym | Calcium Trisodium Diethylenetriaminepentaacetate |
| IUPAC Name | calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate |
| InChI Key | AWBWYUNJDQLQGT-UHFFFAOYSA-I |
| Molecular Formula | C14H20CaN3Na3O11 |
Diethylenetriamine-N,N,N',N″,N″-pentaacetic acid, 90%, MP Biomedicals™
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 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 |
|---|---|
| CAS | 67-43-6 |
| Molecular Weight (g/mol) | 393.349 |
| 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 |
Diethylenetriamine-N,N,N',N″l,N″l-Pentaacetic Acid, MP Biomedicals™
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 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 |
|---|---|
| CAS | 67-43-6 |
| Molecular Weight (g/mol) | 393.349 |
| 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 |
Thermo Scientific Chemicals o-Cresolphthalein complexone, indicator grade
CAS: 2411-89-4 Molecular Formula: C32H32N2O12 Molecular Weight (g/mol): 636.61 MDL Number: MFCD00005911 InChI Key: IYZPEGVSBUNMBE-UHFFFAOYSA-N Synonym: o-cresolphthalein complexone,phthalein purple,cresolphthalexon,o-cresolphthalexon,phthalein complexon,o-cresolphthalein complexon,cresolphthalein complexon,metal phthalein,cresolphthalein complexone,unii-a4p6737i7f PubChem CID: 75485 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC1=CC(=CC(CN(CC(O)=O)CC(O)=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(CC(O)=O)CC(O)=O)=C1
| PubChem CID | 75485 |
|---|---|
| CAS | 2411-89-4 |
| Molecular Weight (g/mol) | 636.61 |
| MDL Number | MFCD00005911 |
| SMILES | CC1=CC(=CC(CN(CC(O)=O)CC(O)=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(CC(O)=O)CC(O)=O)=C1 |
| Synonym | o-cresolphthalein complexone,phthalein purple,cresolphthalexon,o-cresolphthalexon,phthalein complexon,o-cresolphthalein complexon,cresolphthalein complexon,metal phthalein,cresolphthalein complexone,unii-a4p6737i7f |
| IUPAC Name | 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| InChI Key | IYZPEGVSBUNMBE-UHFFFAOYSA-N |
| Molecular Formula | C32H32N2O12 |
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 |
|---|---|
| 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, 99% (TLC), 97.6% (HPLC), MP Biomedicals™
CAS: 67526-95-8 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 |
|---|---|
| CAS | 67526-95-8 |
| 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 |
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 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,methyl 1,2,3,4-tetra-o-acetyl-,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate,1,2,3,4-tetra-o-acetyl-d-glucuronide methyl ester 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 |
|---|---|
| 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 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,methyl 1,2,3,4-tetra-o-acetyl-,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate,1,2,3,4-tetra-o-acetyl-d-glucuronide methyl ester |
| IUPAC Name | methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate |
| InChI Key | DPOQCELSZBSZGX-XOBFJNJYSA-N |
| Molecular Formula | C15H20O11 |