cimetidine hydrochloride

Properties Image MNX_ID MNXM153481 reference chebi:50362 formula C10H17ClN6S global charge 0 mol weight 288.808 InChIKey QJHCNBWLPSXHBL-UHFFFAOYSA-N InChI InChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H SMILES CN/C(=N/C#N)NCCSCC1=C(C)NC=N1.[Cl-].[H+] MNX internals InChI (mnx) InChI=1/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H SMILES (mnx) [CH3:1][C:8]1=[C:9]([CH2:5][S:17][CH2:4][CH2:3][NH:13][C:10](=[N:12][CH3:2])[NH:14][C:6]#[N:11])[NH:16][CH:7]=[N:15]1.[ClH:18]

Parent-child relations graph

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