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Substance Name: 5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-, sodium salt
RN: 31687-62-4
InChIKey: DUYSCILLIVEITB-IHUGHQDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H39-O4.Na

Molecular Weight

  • 414.558
 
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Names and Synonyms

Synonyms

  • 3-alpha,6-alpha-Dihydroxy-5-beta-cholan-24-oic acid sodium salt
  • Sale sodico del acido yodesossicolico
  • Sale sodico del acido yodesossicolico [Italian]

Systematic Name

  • 5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-, sodium salt

Registry Numbers

CAS Registry Number

  • 31687-62-4

System Generated Number

  • 0031687624

Molecular Formulas

Molecular Formula

  • C24-H39-O4.Na

Molecular Formula Fragments

  • C24-H39-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16?,17-,18?,19?,20+,21+,23-,24-;/m1./s1

InChIKey

DUYSCILLIVEITB-IHUGHQDSSA-M

Smiles

[Na+].C1[C@H](C[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)[O-])C)[C@@]4(C)CC[C@@H]3[C@@]2(C1)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 200mg/kg (200mg/kg)   Farmaco. Scienza e Tecnica. Vol. 6, Pg. 346, 1951.