Produkty 71781-66-3

CAS 71781-66-3 to numer rejestracyjny substancji 3-Sulfo-tauroursodeoxycholic Acid Disodium Salt. Oferty producentów: TRC. Dostępne opakowania: 100mg.

3-Sulfo-tauroursodeoxycholic Acid Disodium Salt
TRC
  • opakowanie: 100mg
  • Warianty: 1
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Wzór strukturalny: {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) to związek chemiczny o wzorze sumarycznym C26H43NNa2O9S2 i masie molowej 623.7 g/mol. Nazwa systematyczna IUPAC: 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.

Dane identyfikacyjne
Wzór sumarycznyC26H43NNa2O9S2
Masa molowa623.7 g/mol
Nazwa IUPACdisodium;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+]

Dane obliczone przez PubChem (NCBI)

Synonimy: 3-Sulfo-tauroursodeoxycholic Acid Disodium Salt
Powiązane formy tego związku
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]ethanesulfonate C26H43NNa2O9S2
Izomery (ten sam wzór sumaryczny)
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 C26H43NNa2O9S2