Tauroursodiol

Inquiry

For Research Use Only.

Category

Steroids

Cat.No.

NP6120

CAS

14605-22-2

Product Name

Tauroursodiol

Structure

Product Details

Description

Tauroursodiol is a bile acid formed in the liver. Tauroursodiol shows an effect of apoptosis suppression and reduction in gallstone formation.

Synonyms

9,10-secocholesta-5,7,10-trien-3-ol; 2-{[(3alpha,5beta,7beta,8xi,9xi,14xi)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid; 2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid

IUPAC Name

2-[[(4R)-4-[(3R,5S,7S,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]pentanoyl]amino]ethanesulfonic acid

Molecular Weight

499.71

Molecular Formula

C26H45NO6S

Canonical SMILES

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

InChI

InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1

InChIKey

BHTRKEVKTKCXOH-LBSADWJPSA-N

Boiling Point

496.4ºC at 760mmHg

Melting Point

173-175ºC

Flash Point

214.2ºC

Purity

>98%

Density

1.216 g/cm³