3-Sulfo-tauroursodeoxycholic Acid Disodium Salt

cas: 71781-66-3 — see every product listed under this CAS number, including other names

3-Sulfo-tauroursodeoxycholic Acid Disodium Salt (CAS 71781-66-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-S789290-100MG
cas71781-66-3
size100mg
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properties

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Structural formula: {0} (CAS {1})

Disodium;2-[[(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate (CAS 71781-66-3) is a chemical compound with the molecular formula C26H43NNa2O9S2 and a molecular weight of 623.7 g/mol. IUPAC name: disodium;2-[[(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate. InChIKey: MIGKUVHDFNAGGB-GUBAPICVSA-L.

Identity
Molecular formulaC26H43NNa2O9S2
Molecular weight623.7 g/mol
IUPAC namedisodium;2-[[(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
InChIKeyMIGKUVHDFNAGGB-GUBAPICVSA-L
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]

Computed by PubChem (NCBI)