N,N-Didesmethyltamoxifen

Properties Image MNX_ID MNXM12329 reference chebi:80556 formula C24H25NO global charge 0 mol weight 343.47 InChIKey MCJKBWHDNUSJLW-VHXPQNKSSA-N InChI InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23- SMILES CC/C(C1=CC=CC=C1)=C(\C1=CC=CC=C1)C1=CC=C(OCCN)C=C1 MNX internals InChI (mnx) InChI=1/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23- SMILES (mnx) [CH3:1][CH2:2]/[C:23]([C:19]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)=[C:24](\[C:20]1=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]1)[C:21]1=[CH:14][CH:16]=[C:22]([O:26][CH2:18][CH2:17][NH2:25])[CH:15]=[CH:13]1

Parent-child relations graph

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