Dorastine hydrochloride (USAN)

Properties Image MNX_ID MNXM51543 reference keggD:D03893 formula C20H24Cl3N3 global charge 0 mol weight 412.792 InChIKey XGGILFZLGXIRFW-UHFFFAOYSA-N InChI InChI=1S/C20H22ClN3.2ClH/c1-14-3-4-15(12-22-14)7-10-24-19-6-5-16(21)11-17(19)18-13-23(2)9-8-20(18)24;;/h3-6,11-12H,7-10,13H2,1-2H3;2*1H SMILES CC1=NC=C(CCN2C3=CC=C(Cl)C=C3C3=C2CCN(C)C3)C=C1.Cl.Cl MNX internals InChI (mnx) InChI=1/C20H22ClN3.2ClH/c1-14-3-4-15(12-22-14)7-10-24-19-6-5-16(21)11-17(19)18-13-23(2)9-8-20(18)24;;/h3-6,11-12H,7-10,13H2,1-2H3;2*1H SMILES (mnx) [CH3:1][C:14]1=[N:22][CH:12]=[C:15]([CH2:7][CH2:10][N:24]2[C:19]3=[C:17]([CH:11]=[C:16]([Cl:21])[CH:5]=[CH:6]3)[C:18]3=[C:20]2[CH2:8][CH2:9][N:23]([CH3:2])[CH2:13]3)[CH:4]=[CH:3]1.[ClH:25].[ClH:26]

Parent-child relations graph

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