CAS RN 345909-26-4
CAS RN 345909-26-4
IUPAC Nor:
sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
Synonymes:
sodium taurocholate|taurocholate sodium|taurocholic acid sodium salt|taurocholate sodium salt|monosodium N-choloyltaurinate
Poids moléculaire (g/mol):
537.69
Formule moléculaire:
C26H44NNaO7S
InChi Key:
JAJWGJBVLPIOOH-IZYKLYLVSA-M
SMILES:
[Na+].[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
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résultats
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Sodium taurocholate hydrate, 96%
CAS: 345909-26-4 Formule moléculaire: C26H44NNaO7S Poids moléculaire (g/mol): 537.688 Numéro MDL: MFCD00150819 Clé InChI: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonyme: sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid CID PubChem: 131632374 Nom IUPAC: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,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]pentanoyl]amino]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]