3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate hydrate
[CAS# 313223-04-0]

Identification

• Name: 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate hydrate
• Synonyms: 3-((3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO)-&
• Molecular Formula: C₃₂H₆₂N₂O₉S
• Molecular Weight: 650.91
• CAS Registry Number: 313223-04-0
• SMILES: O[C@@H]1CC[C@]2(C(C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C)C)C)O)C.O.O
• InChI: 1S/C32H58N2O7S.2H2O/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36;;/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39