Sodium Taurodeoxycholate Hydrate

Product Name Sodium Taurodeoxycholate Hydrate
Alternate Names Taurodeoxycholic acid API Standards, API Standards of Taurodeoxycholic acid
CAT No. CS-O-15271
CAS No. 207737-97-1
Category API Standards
Stock IN-Stock
Mol. Wt. 539.70 g/mol
Mol. For. C₂₆H₄₆NNaO₇S
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Taurodeoxycholic acid
Purity Not less than 95%
Smileys C[C@@]1([C@@]2([H])[C@H](C)CCC(NCC[S](=O)([O-])=O)=O)[C@](CC2)([H])[C@@](CC[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@]4([H])C[C@@H]1O.[Na+].O
Canonical Smiles CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]
InchIKey OLPIZAYYAVQETM-GGPRKOIFSA-M
Inchl 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
IUPAC 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
Controlled No
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