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CHEBI:9636 - Toremifene citrate

ChEBI IDCHEBI:9636
ChEBI NameToremifene citrate
Stars
Last Modified23 April 2020
DownloadsMolfile
FormulaC26H28ClNO.C6H8O7
Net Charge0
Average Mass598.092
Monoisotopic Mass597.21294
SMILESCN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChIKeyIWEQQRMGNVVKQW-OQKDUQJOSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
Toremifene citrate (CHEBI:9636) has role anticoronaviral agent (CHEBI:149553)
Toremifene citrate (CHEBI:9636) is a stilbenoid (CHEBI:26776)
Synonyms  Source
Toremifene citrateKEGG COMPOUND
Fareston (TN)KEGG COMPOUND
Manual XrefsDatabases
D00967KEGG DRUG
Registry NumbersSources
CAS:89778-27-8KEGG COMPOUND