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Substance Name: 6-Exomethylenesimvastatin
RN: 121624-18-8
UNII: 72UQ8975UG
InChIKey: WDTQWJUBUXHODX-BGYTUHEHSA-N

Molecular Weight

  • 416.5544
 
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Names and Synonyms

Name of Substance

  • 6-Exomethylenesimvastatin

Synonyms

  • 6-Exomethylenesimvastatin
  • Butanoic acid, 2,2-dimethyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester
  • Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-7-methyl-3-methylene-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,7beta,8beta(2S*,4S*),8abeta))-
  • Simvastatin, 3-exomethylene-
  • Simvastatin, 6-exomethylene-
  • UNII-72UQ8975UG

Registry Numbers

CAS Registry Number

  • 121624-18-8

FDA UNII

  • 72UQ8975UG

System Generated Number

  • 0121624188

Structure Descriptors

InChI

1S/C25H36O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,16,18-21,23,26H,2,6,9-10,12-14H2,1,3-5H3/t16-,18+,19+,20-,21-,23-/m0/s1

InChIKey

WDTQWJUBUXHODX-BGYTUHEHSA-N

Smiles

CCC(C)(C)C(=O)O[C@H]1CC(=C)C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O