CHEBI:50859 - bexarotene

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name bexarotene ChEBI ID CHEBI:50859 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C24H28O2 Net Charge 0 Average Mass 348.47792 Monoisotopic Mass 348.20893 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. View more via ChEBI Ontology 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 Manual Xrefs 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