Verubulin hydrochloride (USAN)

Properties Image MNX_ID MNXM162110 reference keggD:D10030 formula C17H18ClN3O global charge 0 mol weight 315.804 InChIKey VYUWDIKZJLOZJL-UHFFFAOYSA-N InChI InChI=1S/C17H17N3O.ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;/h4-11H,1-3H3;1H SMILES COC1=CC=C(N(C)C2=NC(C)=NC3=C2C=CC=C3)C=C1.Cl MNX internals InChI (mnx) InChI=1/C17H17N3O.ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;/h4-11H,1-3H3;1H SMILES (mnx) [CH3:1][C:12]1=[N:18][C:16]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:15]2[C:17]([N:20]([CH3:2])[C:13]2=[CH:9][CH:11]=[C:14]([O:21][CH3:3])[CH:10]=[CH:8]2)=[N:19]1.[ClH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0