Chenodeoxycholic acid

Inquiry

For Research Use Only.

Category

Steroids

Cat.No.

NP6090

CAS

474-25-9

Product Name

Chenodeoxycholic acid

Structure

Product Details

Description

Chenodeoxycholic Acid is a naturally occurring human bile acid.Chenodeoxycholic acid has been used as medical therapy to dissolve gallstones.

Synonyms

Chenix; Chenic acid; Chenodeoxycholate; Chenodesoxycholic acid; Anthropodeoxycholic acid; Anthropodesoxycholic acid; 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid; (3α,5β,7α)-3,7-Dihydroxycholan-24-oic Acid; (+)-Chenodeoxycholic Acid

IUPAC Name

(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoic acid

Molecular Weight

392.57

Molecular Formula

C24H40O4

Canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

InChI

InChI=1S/C24H40O4/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)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

InChIKey

RUDATBOHQWOJDD-BSWAIDMHSA-N

Melting Point

>112°C (dec.)

Flash Point

298.8ºC

Purity

>98%

Density

1.128 g/cm³

Solubility

Soluble in Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)