化学式

CAS号

76757-84-1

IUPAC Name

钠;2-[亚硝基-[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-三羟基-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 sodium;2-[nitroso-[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-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

InChI

InChI=1S/C26H44N2O8S.Na/c1-15(4-7-23(32)28(27-33)10-11-37(34,35)36)18-5-6-19-24-20(14-22(31)26(18,19)3)25(2)9-8-17(29)12-16(25)13-21(24)30;/h15-22,24,29-31H,4-14H2,1-3H3,(H,34,35,36);/q;+1/p-1/t15-,16+,17-,18-,19?,20?,21-,22+,24?,25+,26-;/m1./s1

InChI Key

ZRDPHNFMYUMWJY-IBUVTUARSA-M

Canonical SMILES

CC(CCC(=O)N(CCS(=O)(=O)[O-])N=O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]

别名

• N-Nitrosotaurocholic acid, sodium salt
• 76757-84-1
• N-Nitrosotaurocholic acid sodium salt
• CCRIS 6158
• Taurine, N-choloyl-N-nitroso-, sodium salt
• DTXSID20998076
• Sodium 2-[nitroso(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]ethane-1-sulfonate