Glycodeoxycholic acid

Catalog NumberBL-M000505
CAS Number360-65-6
DescriptionGlycodeoxycholic acid is a bile acid formed in the liver by the conjugation of deoxycholate with glycine. Glycodeoxycholic acid can be used as a cholagogue and choleretic.
IUPAC Name2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
SynonymsDeoxycholylglycine; Glycodeoxycholate; N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]glycine; N-(Carboxymethyl)-3α,12α-dihydroxy-5β-cholan-24-amide
Molecular Weight449.63
Molecular FormulaC26H43NO5
Boiling Point655.6±50.0 °C at 760 mmHg
Melting Point184°C
Purity>99%
Density1.162±0.06 g/cm3
SolubilitySoluble in Acetonitrile (Slightly), Ethanol (Slightly), Methanol (Slightly)
AppearanceWhite to Yellow Solid
ApplicationDetergents
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 69.45%, H 9.64%, N 3.12%, O 17.79%
Canonical SMILESCC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChIInChI=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
InChI KeyWVULKSPCQVQLCU-BUXLTGKBSA-N

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