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7-Oxo Bexarotene

ISO 17034:
Catalog Number : CS-P-07297
CAS Number : 368451-15-4
Status : Available
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Chemical Information

Chemical Name : 7-Oxo Bexarotene
Category : Metabolites
Therapeutic : Anti-Cancer / Oncology

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Additional Information

Canonical SMILES : CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(C(=O)CC2(C)C)(C)C
Isomeric SMILES : CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(C(=O)CC2(C)C)(C)C
InChI : InChI=1S/C24H26O3/c1-14-11-19-20(24(5,6)21(25)13-23(19,3)4)12-18(14)15(2)16-7-9-17(10-8-16)22(26)27/h7-12H,2,13H2,1,3-6H3,(H,26,27)
InchIKey : XLMHAABXFLIUNQ-UHFFFAOYSA-N
IUPAC Name : 4-[1-(3,5,5,8,8-pentamethyl-7-oxo-6H-naphthalen-2-yl)ethenyl]benzoic acid
Exact Mass : 362.18819469

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