ziprasidone hydrochloride hydrate

Properties Image MNX_ID MNXM162215 reference chebi:32314 formula C21H24Cl2N4O2S global charge 0 mol weight 467.422 InChIKey ZCBZSCBNOOIHFP-UHFFFAOYSA-N InChI InChI=1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2 SMILES O.O=C1CC2=C(C=C(Cl)C(CCN3CCN(C4=NSC5=CC=CC=C54)CC3)=C2)N1.[Cl-].[H+] MNX internals InChI (mnx) InChI=1/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:19]2[C:16](=[CH:3]1)[C:21]([N:26]1[CH2:9][CH2:7][N:25]([CH2:6][CH2:5][C:14]3=[CH:11][C:15]4=[C:18]([CH:13]=[C:17]3[Cl:22])[N:23]=[C:20]([OH:27])[CH2:12]4)[CH2:8][CH2:10]1)=[N:24][S:28]2.[ClH:29].[OH2:30]

Parent-child relations graph

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