Chenodeoxycholic acid 7-sulfate (sodium)

cas: 66874-03-1 — see every product listed under this CAS number, including other names

Chenodeoxycholic acid 7-sulfate (sodium) (CAS 66874-03-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

Disodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 66874-03-1) is a chemical compound with the molecular formula C24H38Na2O7S and a molecular weight of 516.6 g/mol. IUPAC name: disodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: QZZKHLLUZHFQPE-VQNKLXGESA-L.

Identity
Molecular formulaC24H38Na2O7S
Molecular weight516.6 g/mol
IUPAC namedisodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyQZZKHLLUZHFQPE-VQNKLXGESA-L
SMILESC[C@H](CCC(=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)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]

Computed by PubChem (NCBI)

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