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Substance Name: SQ 31945
RN: 135690-31-2
InChIKey: BVWLCXJEPYNBRS-DJMRDGBJSA-N

Note

  • The 3alpha,5beta,6-trihydroxy metabolite of pravastatin.

Molecular Formula

  • C23-H38-O9

Molecular Weight

  • 458.544
 
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Names and Synonyms

Name of Substance

  • SQ 31945

Synonym

  • SQ 31,945

Systematic Name

  • 1-Naphthaleneheptanoic acid, 1,2,3,4,6,7,8,8a-octahydro-beta,delta,3,4,6-pentahydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, (1S-(1alpha(betaR*,deltaR*),2alpha,3alpha,4alpha,6beta,8beta(R*),8aalpha))-

Registry Numbers

CAS Registry Number

  • 135690-31-2

System Generated Number

  • 0135690312

Structure Descriptors

InChI

1S/C23H38O9/c1-4-11(2)23(31)32-18-9-15(26)8-17-20(18)16(12(3)21(29)22(17)30)6-5-13(24)7-14(25)10-19(27)28/h8,11-16,18,20-22,24-26,29-30H,4-7,9-10H2,1-3H3,(H,27,28)/t11?,12-,13+,14+,15+,16+,18+,20-,21-,22+/m1/s1

InChIKey

BVWLCXJEPYNBRS-DJMRDGBJSA-N

Smiles

C=12[C@@H]([C@@H]([C@@H]([C@@H]([C@H]2[C@H](C[C@H](C1)O)OC([C@@H](CC)C)=O)CC[C@@H](C[C@@H](CC(=O)O)O)O)C)O)O