diphenoxylate hydrochloride

Properties Image MNX_ID MNXM155476 reference chebi:59784 formula C30H33ClN2O2 global charge 0 mol weight 489.059 InChIKey SHTAFWKOISOCBI-UHFFFAOYSA-N InChI InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H SMILES CCOC(=O)C1(C2=CC=CC=C2)CC[NH+](CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1.[Cl-] MNX internals InChI (mnx) InChI=1/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H SMILES (mnx) [CH3:1][CH2:2][O:34][C:28]([C:29]1([C:25]2=[CH:12][CH:6]=[CH:3][CH:7]=[CH:13]2)[CH2:18][CH2:21][N:32]([CH2:23][CH2:20][C:30]([C:24]#[N:31])([C:26]2=[CH:14][CH:8]=[CH:4][CH:9]=[CH:15]2)[C:27]2=[CH:16][CH:10]=[CH:5][CH:11]=[CH:17]2)[CH2:22][CH2:19]1)=[O:33].[ClH:35]

Parent-child relations graph

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