N,N-dimethyl-N-(3-sulfopropyl)-3-[[(3|A,5|A,7|A,12|A)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-1-propanaminium hydrate

化合物标识与属性

CAS

331717-45-4

PubChem CID

172909650

SMILES

C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O

Canonical SMILES

C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O.O