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Substance Name: 7-Ketolithocholic acid
RN: 4651-67-6
UNII: Y1357H1A28
InChIKey: DXOCDBGWDZAYRQ-AURDAFMXSA-N

Classification Codes

  • Cholagogues and Choleretics
  • Gastrointestinal Agents

Molecular Formula

  • C24-H38-O4

Molecular Weight

  • 390.5602
 
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Names and Synonyms

Name of Substance

  • 7-Ketolithocholic acid

Synonyms

  • 3alpha-Hydroxy-7-oxo-5beta-cholanic acid
  • CCRIS 3987
  • EC 225-083-2
  • EINECS 225-083-2
  • NSC 226118
  • UNII-Y1357H1A28

Systematic Names

  • (3alpha,5beta)-3-Hydroxy-7-oxocholan-24-oic acid
  • 3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid
  • 3alpha-Hydroxy-7-oxo-5beta-cholanoic acid
  • Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 4651-67-6

FDA UNII

  • Y1357H1A28

System Generated Number

  • 0004651676

Structure Descriptors

InChI

InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1

InChIKey

DXOCDBGWDZAYRQ-AURDAFMXSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4CC3=O