N-desmethyltoremifene

Properties Image MNX_ID MNXM158512 reference chebi:169918 formula C25H26ClNO global charge 0 mol weight 391.942 InChIKey WKJKBQYEFAFHCY-IZHYLOQSSA-N InChI InChI=1S/C25H26ClNO/c1-27-18-19-28-23-14-12-22(13-15-23)25(21-10-6-3-7-11-21)24(16-17-26)20-8-4-2-5-9-20/h2-15,27H,16-19H2,1H3/b25-24- SMILES CNCCOC1=CC=C(/C(C2=CC=CC=C2)=C(/CCCl)C2=CC=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C25H26ClNO/c1-27-18-19-28-23-14-12-22(13-15-23)25(21-10-6-3-7-11-21)24(16-17-26)20-8-4-2-5-9-20/h2-15,27H,16-19H2,1H3/b25-24- SMILES (mnx) [CH3:1][NH:27][CH2:18][CH2:19][O:28][C:23]1=[CH:15][CH:13]=[C:22](/[C:25]([C:21]2=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]2)=[C:24](/[CH2:16][CH2:17][Cl:26])[C:20]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)[CH:12]=[CH:14]1

Parent-child relations graph

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