Hyoscine N-oxide

[(1S,2S,4R,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate

Also Known As: Hyoscine N-oxide|AC1L21OW|NCGC00484907-01|[(1S,2R,4S,5S)-9-Methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate

Molecular Formula	C17H21NO5
Molecular Weight	319.14197 g/mol
LogP	0.93
Topological Polar Surface Area	82.12 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	319.14197
Heavy Atoms	23
Complexity	584.3

Chemical Identifiers

CAS Number	6106-81-6
SMILES	C[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-]