Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L51ZMG
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Ligand Name |
Simvastatin acid
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Synonyms |
Simvastatin acid; Tenivastatin; 121009-77-6; Simvastatin hydroxy acid; Tenivastatin [INN]; Simvastatin carboxylic acid; (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid; 9L6M5TH46B; L-654969; (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid; Simvastatin EP Impurity A; DIMETHYL-COMPACTIN; UNII-9L6M5TH46B; (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid; SCHEMBL110804; TENIVASTATIN [WHO-DD]; GTPL3037; CHEMBL1201391; BCBcMAP01_000237; BDBM18375; DTXSID60880249; CHEBI:169041; ZINC3833877; DB14714; 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, (1S-(1alpha(betaS*,deltaS*),2alpha,6beta,8beta,8aalpha))-; HY-119695; CS-0077843; SIMVASTATIN IMPURITY A [EP IMPURITY]; C21581; Q27088960; SIMVASTATIN IMPURITY, SIMVASTATIN HYDROXYACID- [USP IMPURITY]; 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-.beta.,.delta.-dihydroxy-2,6-dimethyl-, (.beta.R,.delta.R,1S,2S,6R,8S,8aR)-; 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, (betaR,deltaR,1S,2S,6R,8S,8aR)-
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Structure |
Download2D MOL |
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Formula |
C25H40O6
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Canonical SMILES |
CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C
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InChI |
1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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InChIKey |
XWLXKKNPFMNSFA-HGQWONQESA-N
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PubChem Compound ID |
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