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tamoxifen citrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM161405

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

formula

C₃₂H₃₇NO₈

charge

mass

563.25192

reference

chebi:9397

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(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9397 chebi:9397	tamoxifen citrate (Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1) 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) Kessar Nolvadex Tamox Tamoxan Tamoxene Tamoxin trans-1-(p-beta-Dimethylaminoethoxyphenyl)-1,2-diphenylbut-1-ene citrate
kegg.drug:D00966 keggD:D00966	Tamoxifen citrate (JP18/USP) Nolvadex (TN) Soltamox (TN)
keggD:M_D00966	secondary/obsolete/fantasy identifier