化学式

CAS号

IUPAC Name

钠;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-二羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-环戊并[a]菲-17-基]丁酰基]氨基]ethanesulfonate;水合物 sodium;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]ethanesulfonate;hydrate

InChI

InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1

InChI Key

OLPIZAYYAVQETM-GGPRKOIFSA-M

Canonical SMILES

CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]

别名

• Sodium taurodeoxycholate hydrate
• 207737-97-1
• taurodeoxycholic acid sodium salt monohydrate
• Taurodeoxycholic acid sodium salt hydrate
• MFCD00149238
• Taurodeoxycholic acid (sodium hydrate)
• Taurodeoxycholic acid, sodium salt hydrate, 97%
• 2-([3alpha,12alpha-Dihydroxy-24-oxo-5beta-cholan-24-yl]amino)ethanesulfonic acid
• C26H44NO6S.Na.H2O
• HY-B1899A
• 7738AH
• AKOS030491315
• CS-0014405
• Sodium taurodeoxycholate hydrate, >=95% (TLC)
• Sodium taurodeoxycholate hydrate, BioXtra, >=97% (TLC)
• 2-[[(3,5,12)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid sodium salt hydrate
• Ethanesulfonic acid, 2-[[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt, hydrate (1:1:)
• Sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate xhydrate