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CHEBI:9397 - tamoxifen citrate

ChEBI IDCHEBI:9397
ChEBI Nametamoxifen citrate
Stars
Last Modified23 April 2020
DownloadsMolfile
Formula3H.C26H29NO.C6H5O7
Net Charge0
Average Mass563.647
Monoisotopic Mass563.25192
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+]
InChIInChI=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-;
InChIKeyFQZYTYWMLGAPFJ-OQKDUQJOSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
Application:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
tamoxifen citrate (CHEBI:9397) has part tamoxifen (CHEBI:41774)
tamoxifen citrate (CHEBI:9397) has role angiogenesis inhibitor (CHEBI:48422)
tamoxifen citrate (CHEBI:9397) has role anticoronaviral agent (CHEBI:149553)
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  Source
(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 citrateChemIDplus
Brand Names  Source
KessarDrugBank
NolvadexDrugBank
TamoxChEBI
TamoxanChEBI
TamoxeneChEBI
TamoxinChEBI
Manual XrefsDatabases
D00966KEGG DRUG
DB00675DrugBank
Registry NumbersSources
Beilstein:5723042Beilstein
CAS:54965-24-1ChemIDplus