tamoxifen citrate

Properties Image MNX_ID MNXM161405 reference chebi:9397 formula C32H37NO8 global charge 0 mol weight 563.647 InChIKey FQZYTYWMLGAPFJ-OQKDUQJOSA-N InChI InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; SMILES CC/C(C1=CC=CC=C1)=C(\C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+] MNX internals InChI (mnx) InChI=1/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; SMILES (mnx) [CH2:29]([C:31](=[O:35])[OH:36])[C:34]([CH2:30][C:32](=[O:37])[OH:38])([C:33](=[O:39])[OH:40])[OH:41].[CH3:1][CH2:4]/[C:25]([C:21]1=[CH:11][CH:7]=[CH:5][CH:8]=[CH:12]1)=[C:26](\[C:22]1=[CH:13][CH:9]=[CH:6][CH:10]=[CH:14]1)[C:23]1=[CH:16][CH:18]=[C:24]([O:28][CH2:20][CH2:19][N:27]([CH3:2])[CH3:3])[CH:17]=[CH:15]1

Parent-child relations graph

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