apomorphine hydrochloride

Properties Image MNX_ID MNXM102783 reference chebi:31228 formula C34H38Cl2N2O5 global charge 0 mol weight 625.593 InChIKey CXWQXGNFZLHLHQ-DPFCLETOSA-N InChI InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1 SMILES CN1CCC2=C3C(=CC=C2)C2=C(C=CC(O)=C2O)C[C@H]31.CN1CCC2=C3C(=CC=C2)C2=C(C=CC(O)=C2O)C[C@H]31.O.[Cl-].[Cl-].[H+].[H+] MNX internals InChI (mnx) InChI=1/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1 SMILES (mnx) [CH3:1][N:18]1[CH2:8][CH2:7][C:10]2=[C:15]3[C:12](=[CH:4][CH:2]=[CH:3]2)[C:16]2=[C:11]([CH:5]=[CH:6][C:14]([OH:19])=[C:17]2[OH:20])[CH2:9][C@H:13]31.[CH3:21][N:38]1[CH2:28][CH2:27][C:30]2=[C:35]3[C:32](=[CH:24][CH:22]=[CH:23]2)[C:36]2=[C:31]([CH:25]=[CH:26][C:34]([OH:39])=[C:37]2[OH:40])[CH2:29][C@H:33]31.[ClH:41].[ClH:42].[OH2:43]

Parent-child relations graph

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