CHEBI:50859 - bexarotene

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ChEBI Name bexarotene
ChEBI ID CHEBI:50859
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H28O2
Net Charge 0
Average Mass 348.47792
Monoisotopic Mass 348.209
InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
InChIKey NAVMQTYZDKMPEU-UHFFFAOYSA-N
SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing bexarotene (CHEBI:50859) has role antineoplastic agent (CHEBI:35610)
bexarotene (CHEBI:50859) is a benzoic acids (CHEBI:22723)
bexarotene (CHEBI:50859) is a naphthalenes (CHEBI:25477)
bexarotene (CHEBI:50859) is a retinoid (CHEBI:26537)
IUPAC Name
4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid
INNs Sources
bexarotène ChEBI
bexarotene ChEBI
bexaroteno ChEBI
bexarotenum ChEBI
Synonym Source
p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid ChemIDplus
Database Links Databases
361 DrugCentral
Bexarotene Wikipedia
D03106 KEGG DRUG
DB00307 DrugBank
US5466861 Patent
WO9321146 Patent
View more database links
Registry Number Type Source
153559-49-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017