Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bezafibroyl-coenzyme A
RN: 109881-30-3
InChIKey: OZLXUAXALOFHOV-JODUHGKGSA-N

Molecular Formula

  • C40-H54-Cl-N8-O19-P3-S

Molecular Weight

  • 1111.34
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bezafibroyl-coenzyme A

Synonyms

  • Bezafibroyl-coa
  • Coenzyme A, bezafibroyl-

Systematic Name

  • Coenzyme A, S-(2-(4-(2-((4-chlorobenzoyl)amino)ethyl)phenoxy)-2-methylpropanoate)

Registry Numbers

CAS Registry Number

  • 109881-30-3

System Generated Number

  • 0109881303

Structure Descriptors

InChI

1S/C40H54ClN8O19P3S/c1-39(2,20-64-71(61,62)68-70(59,60)63-19-27-31(67-69(56,57)58)30(51)37(65-27)49-22-48-29-33(42)46-21-47-34(29)49)32(52)36(54)45-16-14-28(50)43-17-18-72-38(55)40(3,4)66-26-11-5-23(6-12-26)13-15-44-35(53)24-7-9-25(41)10-8-24/h5-12,21-22,27,30-32,37,51-52H,13-20H2,1-4H3,(H,43,50)(H,44,53)(H,45,54)(H,59,60)(H,61,62)(H2,42,46,47)(H2,56,57,58)/t27-,30-,31-,32+,37-/m1/s1

InChIKey

OZLXUAXALOFHOV-JODUHGKGSA-N

Smiles

O(c1ccc(CCNC(c2ccc(Cl)cc2)=O)cc1)C(C(SCCNC(CCNC([C@@H](C(CO[P@@](O[P@@](OC[C@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@@H](O)[C@@H]1OP(O)(O)=O)(=O)O)(=O)O)(C)C)O)=O)=O)=O)(C)C