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Substance Name: Sodium apocholate
RN: 63949-02-0
UNII: U2L03X5GY0
InChIKey: GGYLZKVIYWFOEG-CUBCFLTLSA-M

Molecular Formula

  • C24-H37-O4.Na

Molecular Weight

  • 412.5423
 
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Names and Synonyms

Results Name

  • Sodium apocholate

Name of Substance

  • Sodium apocholate

Synonyms

  • Apocholic acid, sodium salt
  • Sodium apocholate
  • UNII-U2L03X5GY0

Systematic Name

  • 5-beta-Chol-8(14)-en-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt

Registry Numbers

CAS Registry Number

  • 63949-02-0

FDA UNII

  • U2L03X5GY0

System Generated Number

  • 0063949020

Molecular Formulas

Molecular Formula

  • C24-H37-O4.Na

Molecular Formula Fragments

  • C24-H37-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

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

InChIKey

GGYLZKVIYWFOEG-CUBCFLTLSA-M

Smiles

C[C@H](CCC(=O)[O-])[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4(C3C[C@@H]([C@]12C)O)C)O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 90mg/kg (90mg/kg)   Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 52, Pg. 779, 1926.