Substance Name: Acetyl simvastatin
RN: 145576-25-6
InChIKey: OHVWRJDVJRNCPE-BIKFJBPRSA-N

Molecular Formula

  • C27-H40-O6

Molecular Weight

  • 460.607
2D chemical structure of 145576-25-6
 

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Names and Synonyms

Name of Substance

  • Acetyl simvastatin

Synonyms

  • (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-(Acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8ahexahydronaphthalen-1-yl 2,2-dimethylbutanoate
  • 4'-Acetylsimvastatin
  • Acetyl simvastatin
  • Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester
  • Simvastatin acetate
  • Simvastatin acetate ester
  • Simvastatin impurity, acetyl simvastatin- [USP]
  • Simvastatin specified impurity B [EP]
  • UNII-171OXS3HEK

Registry Numbers

CAS Registry Number

  • 145576-25-6

System Generated Number

  • 0145576256

Structure Descriptors

InChI

1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1

InChIKey

OHVWRJDVJRNCPE-BIKFJBPRSA-N

Smiles

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]3C[C@H](CC(=O)O3)OC(=O)C)C