CAS: 207737-97-1 | Sodium taurodeoxycholate hydrate, NX80257
SKU: NX80257-5G
Product Identifiers
Catalog # | NX80257 |
CAS Number | 207737-97-1 |
PubChem CID | 23702150 |
Chemical Name | Sodium taurodeoxycholate hydrate |
IUPAC Name | sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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;hydrate |
InChI | InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1 |
InChIKey | OLPIZAYYAVQETM-GGPRKOIFSA-M |
SMILES | C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.O.[Na+] |
MDL Number | MFCD00149238 |
Specification
MW | 521.69 (anhydrous) |
MF | C26H44NO6SNa á xH2O |
Product Notes | +20¡C |
Cat Number | GD6662 |
Manufacturer | Glentham Life Sciences |
Country of Origin | United Kingdom |