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Substance Name: Cholic acid piperazine (1:1)
RN: 6266-73-5
UNII: JYJ6CRE43U
InChIKey: NRHMKIHPTBHXPF-TUJRSCDTSA-M

Molecular Weight

  • 430.5571
 
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Names and Synonyms

Name of Substance

  • Cholic acid piperazine (1:1)

Synonyms

  • Cholan-24-oic acid, 3,7,12-trihydroxy-, (3.alpah.,5beta,7alpha,12alpha)-, compd. with piperazine (1:1)
  • Cholic acid piperazine (1:1)
  • NSC-36819
  • Piperazine, mono((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oate)
  • UNII-JYJ6CRE43U

Registry Numbers

CAS Registry Number

  • 6266-73-5

FDA UNII

  • JYJ6CRE43U

System Generated Number

  • 0006266735

Structure Descriptors

InChI

1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1

InChIKey

NRHMKIHPTBHXPF-TUJRSCDTSA-M

Smiles

[C@]12([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@H]3O)C[C@@H](CC4)O)C)C[C@@H]1O)CC[C@@H]2[C@@H](CCC(=O)[O-])C)C.[Na+]