化学式

CAS号

6042-32-6

IUPAC Name

钠;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-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]乙磺酸 sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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

InChI

InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1

InChI Key

YAERYJYXPRIDTO-HRHHVWJRSA-N

Canonical SMILES

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]

别名

• Taurolithocholic acid (6CI, 7CI)
• NSC681057
• NSC-681057
• Taurine, N-(3.alpha.-hydroxy-5.beta.-cholan-24-oyl- sodium salt
• Ethanesulfonic acid,5.beta.)-3-hydroxy-24-oxocholan-24-yl]amino]-, sodium salt