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Substance Name: Chenodeoxycholic acid sodium salt
RN: 2646-38-0
UNII: 6V4571KSKE
InChIKey: WDFRNBJHDMUMBL-OICFXQLMSA-M

Note

  • A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.

Molecular Formula

  • C24-H39-O4.Na

Molecular Weight

  • 414.5581
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Results Name

  • Chenodeoxycholic acid sodium salt

Name of Substance

  • Chenodeoxycholic acid, sodium salt

Synonyms

  • CCRIS 637
  • Chenodeoxycholic acid sodium salt
  • Chenodesoxycholic acid sodium salt
  • Sodium chenodeoxycholate
  • Sodium chenodesoxycholate
  • UNII-6V4571KSKE

Systematic Names

  • 5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-, monosodium salt
  • Chenodeoxycholic acid, sodium salt
  • Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 2646-38-0

FDA UNII

  • 6V4571KSKE

Other Registry Number

  • 55400-03-8

System Generated Number

  • 0002646380

Molecular Formulas

Molecular Formula

  • C24-H39-O4.Na

Molecular Formula Fragments

  • C24-H39-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

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

InChIKey

WDFRNBJHDMUMBL-OICFXQLMSA-M

Smiles

C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 114mg/kg (114mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 2499, 1977.
mouse LD50 subcutaneous 1450mg/kg (1450mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 2499, 1977.
rat LD50 intravenous 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 2499, 1977.