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Substance Name: Glycodeoxycholic acid
RN: 360-65-6
UNII: DS124M0828
InChIKey: WVULKSPCQVQLCU-BUXLTGKBSA-N

Note

  • A bile salt formed in the liver by conjugation of deoxycholate with glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and choleretic.

Molecular Formula

  • C26-H45-N-O4

Molecular Weight

  • 449.6277
 

Classification Codes

  • Detergents
  • Surface-Active Agents
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Names and Synonyms

Name of Substance

  • Glycodeoxycholic acid

MeSH Heading

  • Glycodeoxycholic acid

Synonyms

  • 5-beta-Cholan-24-oic acid, glycodeoxy-
  • Deoxycholic acid glycine conjugate
  • Deoxycholylglycine
  • Glycodeoxycholic acid
  • Glycodesoxycholic acid
  • Glykodesoxycholsaeure
  • Glykodesoxycholsaeure [German]
  • UNII-DS124M0828

Systematic Names

  • Glycine, N-((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)-
  • Glycine, N-(3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-yl)-
  • N-((3-alpha,5-beta,12-alpha)-3,12-Dihydroxy-24-oxocholan-24-yl)-glycine (9CI)

Registry Numbers

CAS Registry Number

  • 360-65-6

FDA UNII

  • DS124M0828

Other Registry Numbers

  • 125757-76-8
  • 36258-34-1

System Generated Number

  • 0000360656

Structure Descriptors

InChI

InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1

InChIKey

WVULKSPCQVQLCU-BUXLTGKBSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 323, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.25 (none)   EXP
Water Solubility 2.7 mg/L 20 EXP
Vapor Pressure 8.36E-18 mm Hg 25 EST
Henry's Law Constant 9.38E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.42E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.