Synonyms |
64936-82-9;3-Sulfoglycolithocholic Acid Disodium Salt;3ALPHA-HYDROXY-5BETA-CHOLAN 24-OIC ACID N-[CARBOXYMETHYL]AMIDE 3-SULFATE DISODIUM SALT;PD164029;G77052; |
IUPAC Name |
disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate |
Molecular Weight |
173.08 |
Molecular Formula |
C4H3N3O5 |
Canonical SMILES |
C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-] |
InChI |
InChI=1S/C26H43NO7S.2Na/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3;;/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33);;/q;2*+1/p-2/t16-,17-,18-,19+,20-,21+,22+,25+,26-;;/m1../s1 |
InChIKey |
FXMCQRUEVPOMSC-DJOVSRRHSA-L |
Appearance |
Solid |
Storage |
-20°C, sealed storage, away from moisture *In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture) |