(R)-quinacrine

Properties Image MNX_ID MNXM31676 reference chebi:49845 formula C23H30ClN3O global charge 0 mol weight 399.966 InChIKey GPKJTRJOBQGKQK-MRXNPFEDSA-N InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m1/s1 SMILES CCN(CC)CCC[C@@H](C)NC1=C2C=CC(Cl)=CC2=NC2=CC=C(OC)C=C21 MNX internals InChI (mnx) InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][N:27]([CH2:6][CH3:2])[CH2:13][CH2:7][CH2:8][C@@H:16]([CH3:3])[N:25]=[C:23]1[C:19]2=[C:22]([CH:14]=[C:17]([Cl:24])[CH:9]=[CH:11]2)[NH:26][C:21]2=[CH:12][CH:10]=[C:18]([O:28][CH3:4])[CH:15]=[C:20]21

Parent-child relations graph

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