Simvastatin EP Impurity A
Simvastatin EP Impurity A is a sodium salt derived from the hydrolysis of the lactone ring of Simvastatin, featuring a substituted dihydroxytetralin moiety linked to a carboxylate group. The compound retains the core 2-(4-hydroxyphenyl)-2-(methyl)-1-(methyl)pentyl structure of Simvastatin but exhibits an open-ring configuration with a sodium-bound carboxylate. This impurity arises during Simvastatin synthesis or degradation via hydrolytic cleavage of the lactone. It serves as an HPLC reference standard for quantifying process-related impurities in Simvastatin drug substances.
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Molecular Formula
C25H39NaO6
Molecular Weight
458.6000
CAS Number
101314-97-0
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PubChem CID
16760655 ↗
IUPAC Name
sodium (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-dihydroxyheptanoate
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📝 Synonyms
Tenivastatin sodium
101314-97-0
Simvastatin, Sodium Salt
UNII-2L6JSY5YGL
2L6JSY5YGL
J428.165I
(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid, monosodium salt
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, monosodium salt, (betaR,deltaR,1S,2S,6R,8S,8aR)-
(.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)-8-(2,2-DIMETHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-1-NAPHTHALENEHEPTANOIC ACID, MONOSODIUM SALT
1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-.beta.,.delta.-dihydroxy-2,6-dimethyl-, monosodium salt, (.beta.R,.delta.R,1S,2S,6R,8S,8aR)-
🔬 Chemical Identifiers
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+]
InChI=1S/C25H40O6.Na/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);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
RLWRROYWKHUVKF-OKDJMAGBSA-M
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