TAURODEOXYCHOLIC ACID-3-SULFATE

cas: 66874-07-5 — see every product listed under this CAS number, including other names

TAURODEOXYCHOLIC ACID-3-SULFATE (CAS 66874-07-5) is a chemical reagent available from Chemat. Available pack sizes: 5MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number700399P-5MG
cas66874-07-5
size5MG
availability availability
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Available pack sizes

brand size price
Sigma-Aldrich 5MG 2300.00 Pln

properties

purityNo data
delivery time1-2 weeks (only if in stock, to check click on availability)
Structural formula: {0} (CAS {1})

Disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-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 66874-07-5) 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,8R,9S,10S,12S,13R,14S,17R)-12-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: MDIUFDJRPASITN-GGPRKOIFSA-L.

Identity
Molecular formulaC26H43NNa2O9S2
Molecular weight623.7 g/mol
IUPAC namedisodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-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
InChIKeyMDIUFDJRPASITN-GGPRKOIFSA-L
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: orb3145286

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