4-Hydroxy-N-desmethyltamoxifen

Properties Image MNX_ID MNXM6109 reference chebi:80555 formula C25H27NO2 global charge 0 mol weight 373.496 InChIKey MHJBZVSGOZTKRH-IZHYLOQSSA-N InChI InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24- SMILES CC/C(C1=CC=CC=C1)=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCNC)C=C1 MNX internals InChI (mnx) InChI=1/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24- SMILES (mnx) [CH3:1][CH2:3]/[C:24]([C:19]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)=[C:25](\[C:20]1=[CH:10][CH:14]=[C:22]([OH:27])[CH:13]=[CH:9]1)[C:21]1=[CH:12][CH:16]=[C:23]([O:28][CH2:18][CH2:17][NH:26][CH3:2])[CH:15]=[CH:11]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0