darifenacin

Properties Image MNX_ID MNXM104240 reference chebi:391960 formula C28H30N2O2 global charge 0 mol weight 426.56 InChIKey HXGBXQDTNZMWGS-RUZDIDTESA-N InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 SMILES NC(=O)C(C1=CC=CC=C1)(C1=CC=CC=C1)[C@@H]1CCN(CCC2=CC3=C(C=C2)OCC3)C1 MNX internals InChI (mnx) InChI=1/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:23]([C:28]([C:24]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)([C@@H:25]2[CH2:14][CH2:17][N:30]([CH2:16][CH2:13][C:21]3=[CH:19][C:22]4=[C:26]([CH:12]=[CH:11]3)[O:32][CH2:18][CH2:15]4)[CH2:20]2)[C:27](=[NH:29])[OH:31])[CH:8]=[CH:4]1

Parent-child relations graph

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