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153559-45-6

153559-45-6 Structure

153559-45-6 Structure
IdentificationBack Directory
[Name]

Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
[CAS]

153559-45-6
[Synonyms]

Bexarotene Impurity 6
Bexarotene Ketone Methyl Ester Impurity
DesMethylene Oxo-bexarotene Methyl Ester
Methyl 4-(1,1,4,4,6-pentaMethyl-1,2,3,4-tetrahydronaphthalene-7-carbonyl)benzoate
Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)benzoate
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-phthalenyl)carbonyl]benzoate
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
4-[oxo-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]benzoic acid methyl ester
4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentaMethyl-2-naphthalenyl)carbonyl]-benzoic Acid Methyl Ester
Benzoic acid, 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentaMethyl-2-naphthalenyl)carbonyl]-, Methyl ester
Bexarotene intermediate3,Benzoic acid, 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-, methyl ester
[Molecular Formula]

C24H28O3
[MDL Number]

MFCD12828199
[MOL File]

153559-45-6.mol
[Molecular Weight]

364.48
Chemical PropertiesBack Directory
[Melting point ]

143-144 °C(Solv: ethyl acetate (141-78-6); methanol (67-56-1))
[Boiling point ]

472.8±45.0 °C(Predicted)
[density ]

1.055
[solubility ]

Dichloromethane, Ethyl Acetate
[form ]

Solid
[color ]

Off-White
[Major Application]

(Pharmaceutical small molecule)
[InChI]

InChI=1S/C24H28O3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27-6/h7-10,13-14H,11-12H2,1-6H3
[InChIKey]

DYVLPJYIGJZAKF-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(C(C2=C(C)C=C3C(=C2)C(C)(C)CCC3(C)C)=O)C=C1
Safety DataBack Directory
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

A possible drug candidate in the treatment of cancers. Intermediate in the preparation of tetramethylcyclohexane derivatives as retinoid X receptors modulators.
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