CHEBI:9636 - Toremifene citrate

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ChEBI Name Toremifene citrate
ChEBI ID CHEBI:9636
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C26H28ClNO.C6H8O7
C32H36ClNO8
Net Charge 0
Average Mass 598.084
Monoisotopic Mass 597.21294
InChI InChI=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-;
InChIKey IWEQQRMGNVVKQW-OQKDUQJOSA-N
SMILES C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C1=CC=CC(=C1)\C(\C=2C=CC(=CC2)OCCN(C)C)=C(\C3=CC=CC=C3)/CCCl
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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ChEBI Ontology
Outgoing Toremifene citrate (CHEBI:9636) has role anticoronaviral agent (CHEBI:149553)
Toremifene citrate (CHEBI:9636) is a stilbenoid (CHEBI:26776)
Synonyms Sources
Fareston (TN) KEGG COMPOUND
Toremifene citrate KEGG COMPOUND
Manual Xref Database
D00967 KEGG DRUG
View more database links
Registry Number Type Source
89778-27-8 CAS Registry Number KEGG COMPOUND
Last Modified
23 April 2020