Catalog Number:
AG002J5N
Chemical Name:
Sodium glycocholate hydrate
CAS Number:
207614-05-9
Molecular Formula:
C26H44NNaO7
Molecular Weight:
505.6198
MDL Number:
MFCD00150466
IUPAC Name:
sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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]acetate;dihydrate
InChI:
InChI=1S/C26H43NO6.Na.2H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;;;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);;2*1H2/q;+1;;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;;/m1.../s1
InChI Key:
SDTQNTQLAZRSIC-NWNSWQEHSA-M
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)[O-])C)C)O)C.O.[Na+]
