Products 313223-04-0

CAS 313223-04-0 is the registry number for 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate hydrate, ≥98%. Offered by: Chemat. Available pack sizes: 1g.

3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate hydrate, ≥98%
Chemat
  • size: 1g
  • Variants: 1
from 309.20
View product
Structural formula: {0} (CAS {1})

3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate;dihydrate (CAS 313223-04-0) is a chemical compound with the molecular formula C32H62N2O9S and a molecular weight of 650.9 g/mol. IUPAC name: 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate;dihydrate. InChIKey: VZEAAJYXOVMMAE-RIHCNFJWSA-N.

Identity
Molecular formulaC32H62N2O9S
Molecular weight650.9 g/mol
IUPAC name3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate;dihydrate
InChIKeyVZEAAJYXOVMMAE-RIHCNFJWSA-N
SMILESC[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.O

Computed by PubChem (NCBI)