CAS 206111-65-1 to numer rejestracyjny substancji Tauro-(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic Acid Sodium Salt. Oferty producentów: TRC. Dostępne opakowania: 25mg.
Sodium 2-[[(2R,6R)-2-methyl-6-[(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]heptanoyl]amino]ethanesulfonate (CAS 206111-65-1) to związek chemiczny o wzorze sumarycznym C29H50NNaO7S i masie molowej 579.8 g/mol. Nazwa systematyczna IUPAC: sodium 2-[[(2R,6R)-2-methyl-6-[(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]heptanoyl]amino]ethanesulfonate. InChIKey: FPBJDVAUVACBKI-WNSSYOJHSA-M.
| Wzór sumaryczny | C29H50NNaO7S |
|---|---|
| Masa molowa | 579.8 g/mol |
| Nazwa IUPAC | sodium 2-[[(2R,6R)-2-methyl-6-[(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]heptanoyl]amino]ethanesulfonate |
| InChIKey | FPBJDVAUVACBKI-WNSSYOJHSA-M |
| SMILES | C[C@H](CCC[C@@H](C)C(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+] |
Dane obliczone przez PubChem (NCBI)