Catalog Number:
AG00EF13
Chemical Name:
3ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE 3-SULFATE DISODIUM SALT
CAS Number:
64936-83-0
Molecular Formula:
C26H43NNa2O8S2
Molecular Weight:
607.7311
MDL Number:
MFCD00055891
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]ethanesulfonate
InChI:
InChI=1S/C26H45NO8S2.2Na/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3;;/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/t17-,18-,19-,20+,21-,22+,23+,25+,26-;;/m1../s1
InChI Key:
YHTVOGLKSGJIDL-RLHFEMFKSA-L
SMILES:
O=C(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)[O-])C)NCCS(=O)(=O)[O-].[Na+].[Na+]
