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Substance Name: Glyco-obeticholic acid
RN: 863239-60-5
UNII: O2MZK6V9LQ
InChIKey: MTLPUOZJBFHNSO-FCWTVGIUSA-N

Molecular Formula

  • C28-H47-N-O5

Molecular Weight

  • 477.6765
 
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Names and Synonyms

Name of Substance

  • Glyco-obeticholic acid

Synonyms

  • 6-Egcdca
  • Glycine, N-((3alpha,5beta,6alpha,7alpha)-6-ethyl-3,7-dihydroxy-24-oxocholan-24-yl)-
  • Glyco-obeticholic acid
  • Glyco-oca
  • Glycoobeticholic acid
  • UNII-O2MZK6V9LQ

Registry Numbers

CAS Registry Number

  • 863239-60-5

FDA UNII

  • O2MZK6V9LQ

System Generated Number

  • 0863239605

Structure Descriptors

InChI

1S/C28H47NO5/c1-5-18-22-14-17(30)10-12-28(22,4)21-11-13-27(3)19(7-8-20(27)25(21)26(18)34)16(2)6-9-23(31)29-15-24(32)33/h16-22,25-26,30,34H,5-15H2,1-4H3,(H,29,31)(H,32,33)/t16-,17-,18-,19-,20+,21+,22+,25+,26-,27-,28-/m1/s1

InChIKey

MTLPUOZJBFHNSO-FCWTVGIUSA-N

Smiles

CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14