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Substance Name: Nafenopin-coenzyme A
RN: 112195-81-0
InChIKey: MUIWZLHYOXABMT-WFSMWQGZSA-N

Note

  • Rat liver microsomal thioester metabolite.

Molecular Formula

  • C41-H56-N7-O18-P3-S

Molecular Weight

  • 1059.9124
 
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Names and Synonyms

Name of Substance

  • Nafenopin-coenzyme A

Synonyms

  • Coenzyme A, nafenopin-
  • Nafenopin-coa

Systematic Name

  • Coenzyme A, S-(2-methyl-2-(4-(1,2,3,4-tetrahydro-1-naphthalenyl)phenoxy)propanoate)

Registry Numbers

CAS Registry Number

  • 112195-81-0

System Generated Number

  • 0112195810

Structure Descriptors

InChI

1S/C41H56N7O18P3S/c1-40(2,21-62-69(59,60)66-68(57,58)61-20-29-33(65-67(54,55)56)32(50)38(63-29)48-23-47-31-35(42)45-22-46-36(31)48)34(51)37(52)44-17-16-30(49)43-18-19-70-39(53)41(3,4)64-26-14-12-25(13-15-26)28-11-7-9-24-8-5-6-10-27(24)28/h5-6,8,10,12-15,22-23,28-29,32-34,38,50-51H,7,9,11,16-21H2,1-4H3,(H,43,49)(H,44,52)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t28?,29-,32-,33-,34+,38-/m1/s1

InChIKey

MUIWZLHYOXABMT-WFSMWQGZSA-N

Smiles

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)Oc4ccc(cc4)C5CCCc6c5cccc6)O