RefMet Compound Details
MW structure | 43128 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Nalbuphine | |
Systematic name | (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,14,17-triol | |
SMILES | C1CC(C1)CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@]3([C@H]1C5)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 357.194009 (neutral) |