Arotinolol hydrochloride

Properties Image MNX_ID MNXM152342 reference chebi:31239 formula C15H22ClN3O2S3 global charge 0 mol weight 408.014 InChIKey XXDAXBZYUXLDRD-UHFFFAOYSA-N InChI InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H SMILES CC(C)(C)NCC(O)CSC1=NC(C2=CC=C(C(N)=O)S2)=CS1.Cl MNX internals InChI (mnx) InChI=1/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H/t9?; SMILES (mnx) [CH3:1][C:15]([CH3:2])([CH3:3])[NH:17][CH2:6][CH:9]([CH2:7][S:21][C:14]1=[N:18][C:10]([C:11]2=[CH:4][CH:5]=[C:12]([C:13]([NH2:16])=[O:20])[S:23]2)=[CH:8][S:22]1)[OH:19].[ClH:24]

Parent-child relations graph

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