GLYCOCHENODEOXYCHOLIC ACID 3-SULFATE

cas: 66874-09-7 — see every product listed under this CAS number, including other names

GLYCOCHENODEOXYCHOLIC ACID 3-SULFATE (CAS 66874-09-7) is a chemical reagent available from Chemat. Available pack sizes: 5MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog number700360P-5MG
cas66874-09-7
size5MG
availability availability
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
Sigma-Aldrich 5MG 1170.00 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,7R,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]acetate (CAS 66874-09-7) is a chemical compound with the molecular formula C26H41NNa2O8S and a molecular weight of 573.7 g/mol. IUPAC name: disodium;2-[[(4R)-4-[(3R,5R,7R,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]acetate. InChIKey: MJXWPLXHDUSUKI-KZRRTRIISA-L.

Identity
Molecular formulaC26H41NNa2O8S
Molecular weight573.7 g/mol
IUPAC namedisodium;2-[[(4R)-4-[(3R,5R,7R,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]acetate
InChIKeyMJXWPLXHDUSUKI-KZRRTRIISA-L
SMILESC[C@H](CCC(=O)NCC(=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)

Synonyms: Glycochenodeoxycholic Acid 3-Sulfate Disodium Salt, Glycochenodeoxycholic acid 3a-sulfate disodium salt, N-[(3a,5b,7a)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine disodium salt
Isomers (same molecular formula)
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]acetate C26H41NNa2O8S

Also listed as

Glycochenodeoxycholic Acid 3-Sulfate Disodium Salt, >95% (HPLC) TRC CAS 66874-09-7
Glycochenodeoxycholic Acid 3-Sulfate Disodium Salt Chemat CAS 66874-09-7
Glycochenodeoxycholic acid 3-sulfate (disodium), 99.16% MedChemExpress CAS 66874-09-7