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Bexarotene-[13C4]

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Bexarotene-[13C4]

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General Information
Catalog: BLP-003453
CAS: 1185030-01-6
Molecular Formula: C20[13C]4H28O2
Molecular Weight: 352.45

Chemical Structure

Description	Labelled Bexarotene. Bexarotene is a retinoid specifically selective for retinoid X receptors, used as an oral antineoplastic agent in the treatment of cutaneous T-cell lymphoma.
Synonyms	4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)benzoic Acid-13C4
IUPAC Name	4-[1-[3-methyl-5,5,8,8-tetra((1-13C)methyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
Related CAS	153559-49-0 (unlabelled)
Isomeric SMILES	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3]
Canonical SMILES	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
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)/i3+1,4+1,5+1,6+1
InChI Key	NAVMQTYZDKMPEU-PQVJJBODSA-N
Melting Point	216-219°C (dec.)
Purity	> 98%
Solubility	Soluble in Dichloromethane, DMSO
Appearance	White to Off-white Solid
Storage	-20°C