Glycodeoxycholic acid

Inquiry

For Research Use Only.

Category

Steroids

Cat.No.

NP6093

CAS

360-65-6

Product Name

Glycodeoxycholic acid

Structure

Product Details

Description

Glycodeoxycholic 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.

Synonyms

Deoxycholylglycine; Glycodeoxycholate; N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]glycine; N-(Carboxymethyl)-3α,12α-dihydroxy-5β-cholan-24-amide

IUPAC Name

2-[[(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

Molecular Weight

449.63

Molecular Formula

C26H43NO5

Canonical SMILES

CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

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

Boiling Point

655.6±50.0 °C at 760 mmHg

Melting Point

184°C

Purity

>99%

Density

1.162±0.06 g/cm3

Solubility

Soluble in Acetonitrile (Slightly), Ethanol (Slightly), Methanol (Slightly)