| CAS Number | 41945-48-6 |
| Catalog Number | AG00I85Q(AGN-PC-0WAILM) |
| Chemical Name | Sodium Glycotaurocholate |
| EC Number | 255-596-7 |
| IUPAC Name | sodium;2-[[2-[[(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]acetyl]amino]ethanesulfonate |
| InChI | InChI=1S/C28H48N2O8S.Na/c1-16(4-7-24(34)30-15-25(35)29-10-11-39(36,37)38)19-5-6-20-26-21(14-23(33)28(19,20)3)27(2)9-8-18(31)12-17(27)13-22(26)32;/h16-23,26,31-33H,4-15H2,1-3H3,(H,29,35)(H,30,34)(H,36,37,38);/q;+1/p-1/t16-,17+,18-,19-,20?,21?,22-,23+,26?,27+,28-;/m1./s1 |
| InChI Key | PUODKHBECQMSKY-FQKBTHBQSA-M |
| MDL Number | MFCD00036243 |
| Molecular Formula | C28H47N2NaO8S |
| Molecular Weight | 594.7361 |
| SMILES | O=C(NCCS(=O)([O-])=O)CNC(CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)=O.[Na+] |
| Synonyms | sodium tauroglycocholate,
tauroglycocholic acid,
Sodium N-(N-choloylglycyl)taurinate,
41945-48-6,
Sodium glycotaurocholate,
Sodium tauroglycocholate,
11006-55-6,
EINECS 255-596-7,
AKOS024462601,
VN10028,
Tauroglycocholic Acid,
C28H48N2O8S.Na,
UNII-SR721549U5,
C28H48N2O8S,
Tauroglycocholic acid, sodium salt,
C28-H48-N2-O8-S.Na,
EINECS 234-243-0,
CID6451803,
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