(S)-bevantolol hydrochloride

Properties Image MNX_ID MNXM149724 reference chebi:59187 formula C20H28ClNO4 global charge 0 mol weight 381.9 InChIKey FJTKCFSPYUMXJB-LMOVPXPDSA-N InChI InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H/t17-;/m0./s1 SMILES COC1=C(OC)C=C(CC[NH2+]C[C@H](O)COC2=CC(C)=CC=C2)C=C1.[Cl-] MNX internals InChI (mnx) InChI=1/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H/t17-;/m0./s1 SMILES (mnx) [CH3:1][C:15]1=[CH:11][C:18]([O:25][CH2:14][C@H:17]([CH2:13][NH:21][CH2:10][CH2:9][C:16]2=[CH:12][C:20]([O:24][CH3:3])=[C:19]([O:23][CH3:2])[CH:8]=[CH:7]2)[OH:22])=[CH:6][CH:4]=[CH:5]1.[ClH:26]

Parent-child relations graph

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