alpha-Hydroxytamoxifen

Properties Image MNX_ID MNXM10668 reference chebi:80553 formula C26H29NO2 global charge 0 mol weight 387.523 InChIKey BPHFBQJMFWCHGH-QPLCGJKRSA-N InChI InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25- SMILES CC(O)/C(C1=CC=CC=C1)=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1 MNX internals InChI (mnx) InChI=1/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-/t20? SMILES (mnx) [CH3:1][CH:20](/[C:25]([C:21]1=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]1)=[C:26](\[C:22]1=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]1)[C:23]1=[CH:15][CH:17]=[C:24]([O:29][CH2:19][CH2:18][N:27]([CH3:2])[CH3:3])[CH:16]=[CH:14]1)[OH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0