Substance Name: Methylene simvastatin
RN: 1246815-38-2
InChIKey: PHAXMMMKRGSDIV-HGQWONQESA-N

Molecular Formula

  • C25-H36-O5

Molecular Weight

  • 416.5544
2D chemical structure of 1246815-38-2
 

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Names and Synonyms

Name of Substance

  • Methylene simvastatin

Synonyms

  • (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbut-3-enoate.
  • Methylene simvastatin
  • Simvastatin impurity, methylene simvastatin- [USP]
  • Simvastatin specified impurity G [EP]
  • UNII-0HRF0VUG7Z

Registry Numbers

CAS Registry Number

  • 1246815-38-2

System Generated Number

  • 1246815382

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/h6-8,11,15-16,18-21,23,26H,1,9-10,12-14H2,2-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

InChIKey

PHAXMMMKRGSDIV-HGQWONQESA-N

Smiles

C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)C=C