Todralazine hydrochloride hydrate (JP18)

Properties Image MNX_ID MNXM161687 reference keggD:D05034 formula C11H15ClN4O3 global charge 0 mol weight 286.719 InChIKey YALNFCRINZHFMY-UHFFFAOYSA-N InChI InChI=1S/C11H12N4O2.ClH.H2O/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10;;/h3-7H,2H2,1H3,(H,13,14)(H,15,16);1H;1H2 SMILES CCOC(=O)NNC1=NN=CC2=CC=CC=C21.Cl.O MNX internals InChI (mnx) InChI=1/C11H12N4O2.ClH.H2O/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10;;/h3-7H,2H2,1H3,(H,13,14)(H,15,16);1H;1H2 SMILES (mnx) [CH3:1][CH2:2][O:17][C:11](=[N:15][NH:14][C:10]1=[N:13][N:12]=[CH:7][C:8]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:9]21)[OH:16].[ClH:18].[OH2:19]

Parent-child relations graph

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