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Substance Name: Ciprofibrate-coenzyme A
RN: 111900-25-5
InChIKey: AAHIMGZVACZGCQ-NKXYKTLRSA-N

Note

  • Rat liver microsomal thioester metabolite.

Molecular Formula

  • C34-H48-Cl2-N7-O18-P3-S

Molecular Weight

  • 1038.68
 
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Names and Synonyms

Name of Substance

  • Ciprofibrate-coenzyme A

Synonyms

  • Ciprofibrate-coa
  • Coenzyme A, ciprofibrate-

Systematic Name

  • Coenzyme A, S-(2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methylpropanoate)

Registry Numbers

CAS Registry Number

  • 111900-25-5

System Generated Number

  • 0111900255

Structure Descriptors

InChI

1S/C34H48Cl2N7O18P3S/c1-32(2,26(46)29(47)39-10-9-22(44)38-11-12-65-31(48)33(3,4)59-19-7-5-18(6-8-19)20-13-34(20,35)36)15-57-64(54,55)61-63(52,53)56-14-21-25(60-62(49,50)51)24(45)30(58-21)43-17-42-23-27(37)40-16-41-28(23)43/h5-8,16-17,20-21,24-26,30,45-46H,9-15H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t20?,21-,24-,25-,26?,30-/m1/s1

InChIKey

AAHIMGZVACZGCQ-NKXYKTLRSA-N

Smiles

C1[C@@H](C1(Cl)Cl)c1ccc(cc1)OC(C(SCCNC(CCNC([C@@H](C(CO[P@@](O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](n2cnc3c(N)ncnc23)O1)O)OP(O)(=O)O)(O)=O)(C)C)O)=O)=O)=O)(C)C