cariprazine hydrochloride

Properties Image MNX_ID MNXM153176 reference chebi:90932 formula C21H33Cl3N4O global charge 0 mol weight 463.881 InChIKey GPPJWWMREQHLQT-BHQIMSFRSA-N InChI InChI=1S/C21H32Cl2N4O.ClH/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23;/h3-5,16-17H,6-15H2,1-2H3,(H,24,28);1H/t16-,17-; SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(C3=C(Cl)C(Cl)=CC=C3)CC2)CC1.Cl MNX internals InChI (mnx) InChI=1/C21H32Cl2N4O.ClH/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23;/h3-5,16-17H,6-15H2,1-2H3,(H,24,28);1H/t16-,17-; SMILES (mnx) [CH3:1][N:25]([CH3:2])[C:21](=[N:24][C@H:17]1[CH2:8][CH2:6][C@H:16]([CH2:10][CH2:11][N:26]2[CH2:12][CH2:14][N:27]([C:19]3=[CH:5][CH:3]=[CH:4][C:18]([Cl:22])=[C:20]3[Cl:23])[CH2:15][CH2:13]2)[CH2:7][CH2:9]1)[OH:28].[ClH:29]

Parent-child relations graph

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