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CHEBI:50859 - bexarotene

ChEBI IDCHEBI:50859
ChEBI Namebexarotene
Stars
Last Modified22 February 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC24H28O2
Net Charge0
Average Mass348.486
Monoisotopic Mass348.20893
SMILESC=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=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)
InChIKeyNAVMQTYZDKMPEU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
bexaroteneChEBI
bexarotèneChEBI
bexarotenoChEBI
bexarotenumChEBI
Synonym  Source
p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acidChemIDplus
Manual XrefsDatabases
D03106KEGG DRUG
DB00307DrugBank
WO9321146Patent
US5466861Patent
BexaroteneWikipedia
361DrugCentral
Registry NumbersSources
CAS:153559-49-0ChemIDplus