Amlodipine benzoate

Properties Image MNX_ID MNXM1130184 reference keggD:D11881 formula C27H31ClN2O7 global charge 0 mol weight 531.005 InChIKey RVPCEXXEUXIPEO-UHFFFAOYSA-N InChI InChI=1S/C20H25ClN2O5.C7H6O2/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;8-7(9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,8,9) SMILES CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1C1=C(Cl)C=CC=C1.O=C(O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C20H25ClN2O5.C7H6O2/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;8-7(9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,8,9)/t17?; SMILES (mnx) [CH3:1][CH2:4][O:28][C:20]([C:18]1=[C:15]([CH2:11][O:27][CH2:10][CH2:9][NH2:22])[NH:23][C:12]([CH3:2])=[C:16]([C:19](=[O:24])[O:26][CH3:3])[CH:17]1[C:13]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:14]1[Cl:21])=[O:25].[CH:29]1=[CH:30][CH:32]=[C:34]([C:35](=[O:36])[OH:37])[CH:33]=[CH:31]1

Parent-child relations graph

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