N-Desmethyltamoxifen

Properties Image MNX_ID MNXM4727 reference chebi:80554 formula C25H27NO global charge 0 mol weight 357.497 InChIKey NYDCDZSEEAUOHN-IZHYLOQSSA-N InChI InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24- SMILES CC/C(C1=CC=CC=C1)=C(\C1=CC=CC=C1)C1=CC=C(OCCNC)C=C1 MNX internals InChI (mnx) InChI=1/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24- SMILES (mnx) [CH3:1][CH2:3]/[C:24]([C:20]1=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]1)=[C:25](\[C:21]1=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]1)[C:22]1=[CH:15][CH:17]=[C:23]([O:27][CH2:19][CH2:18][NH:26][CH3:2])[CH:16]=[CH:14]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0