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The Drug Ontology
Last uploaded:
November 15, 2024
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| Preferred Name | bexarotene | |
| Synonyms |
bexarotenum p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid bexarotene bexaroteno 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50859 |
|
| alternative label |
bexarotenum p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid bexarotene bexaroteno 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid
|
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB00307 KEGG:D03106 Drug_Central:361 Patent:US5466861 CAS:153559-49-0 Patent:WO9321146 Wikipedia:Bexarotene
|
|
| formula |
C24H28O2
|
|
| has role | ||
| has_exact_synonym |
4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
bexarotenum p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid bexarotene bexaroteno
|
|
| has_RxCUI |
233272
|
|
| id |
CHEBI:50859
|
|
| in_subset | ||
| 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
|
|
| label |
bexarotene
|
|
| mass |
348.47792
|
|
| monoisotopicmass |
348.20893
|
|
| notation |
CHEBI:50859
|
|
| prefLabel |
bexarotene
|
|
| smiles |
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26537 |
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