Bexarotene

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Systematic / IUPAC Name: 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)vinyl]benzoic acid

ID: Reference3095

Other Names: Bexaroten;
Bexarotenum;
Targret;
Targretin;
Targretyn ; more

Formula: C24H28O2

Class: Therapeutics/Prescription Drugs

Spectral Data

Bexarotene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 93
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/9/2015 12:41:04 PM
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Identificators

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)
InChI Key NAVMQTYZDKMPEU-UHFFFAOYSA-N
Canonical SMILES CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
CAS 153559490
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Other Names Bexaroten;
Bexarotenum;
Targret;
Targretin;
Targretyn;
Targrexin;
p-[1-(5,6,7,8,-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl]benzoic acid;
4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl]benzoic acid ;
4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid ;
4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid ;
4-[1-(1,1,4,4,7-Pentamethyltetralin-6-yl)vinyl]benzoic acid;
4-[1-(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)vinyl]benzoic acid;
4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid;
4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid;
4-[1-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;
4-[1-(3,5,5,8,8-Pentamethyltetralin-2-yl)ethenyl]benzoic acid;
4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid;
Benzoic acid, 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-

In Other Databases

ChemIDPlus 153559490
ChemSpider 74139
Wikipedia Bexarotene
ChEBI CHEBI:50859
HMDb HMDB14452
PubChem 82146
KEGG D03106
DrugBank DB00307