buclizine dihydrochloride

Properties Image MNX_ID MNXM152940 reference chebi:61193 formula C28H35Cl3N2 global charge 0 mol weight 505.961 InChIKey SDBHDSZKNVDKNU-UHFFFAOYSA-N InChI InChI=1S/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H SMILES CC(C)(C)C1=CC=C(CN2CCN(C(C3=CC=CC=C3)C3=CC=C(Cl)C=C3)CC2)C=C1.Cl.Cl MNX internals InChI (mnx) InChI=1/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H/t27?;; SMILES (mnx) [CH3:1][C:28]([CH3:2])([CH3:3])[C:25]1=[CH:14][CH:10]=[C:22]([CH2:21][N:30]2[CH2:17][CH2:19][N:31]([CH:27]([C:23]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[C:24]3=[CH:12][CH:16]=[C:26]([Cl:29])[CH:15]=[CH:11]3)[CH2:20][CH2:18]2)[CH:9]=[CH:13]1.[ClH:32].[ClH:33]

Parent-child relations graph

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