CHEBI:9397 - tamoxifen citrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tamoxifen citrate
ChEBI ID CHEBI:9397
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H29NO.C6H8O7
Net Charge 0
Average Mass 563.63812
Monoisotopic Mass 563.25192
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-;
InChIKey FQZYTYWMLGAPFJ-OQKDUQJOSA-N
SMILES [H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1
Roles Classification
Application(s): angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tamoxifen citrate (CHEBI:9397) has part tamoxifen (CHEBI:41774)
tamoxifen citrate (CHEBI:9397) has role angiogenesis inhibitor (CHEBI:48422)
tamoxifen citrate (CHEBI:9397) is a citrate salt (CHEBI:50744)
IUPAC Name
2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms Sources
(Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1) ChemIDplus
Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) ChemIDplus
trans-1-(p-beta-Dimethylaminoethoxyphenyl)-1,2-diphenylbut-1-ene citrate ChemIDplus
Brand Names Sources
Kessar DrugBank
Nolvadex DrugBank
Tamox ChEBI
Tamoxan ChEBI
Tamoxene ChEBI
Tamoxin ChEBI
Manual Xrefs Databases
D00966 KEGG DRUG
DB00675 DrugBank
View more database links
Registry Numbers Types Sources
54965-24-1 CAS Registry Number ChemIDplus
5723042 Beilstein Registry Number Beilstein
Last Modified
19 September 2012