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4-Oxoretinoic acid-[d3]

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General Information
Catalog: BLP-013556
CAS: 1346606-26-5
Molecular Formula: C20H23D3O3
Molecular Weight: 317.44

Chemical Structure

Description	4-Oxoretinoic acid-[d3] is a labelled metabolite of all-trans-Retinoic Acid that binds to both the retinoic acid receptor (RAR) and the retinoid X receptor (RXR).
Synonyms	all-trans 4-Keto Retinoic Acid-(9-methyl)-d3; 4-Ketoretinoic Acid-7-d3; 4-Oxo-all-trans-retinoic Acid-7-d3; 4-Oxo-atRA-7-d3; 4-Oxotretinoin-d3; 4-keto-Retinoic Acid-7-d3; Ro 11-4824-7-d3; Ro 12-4824-7-d3; all-trans-4-Oxoretinoic Acid-7-d3
IUPAC Name	(2E,4E,6E,8E)-3-methyl-7-(trideuteriomethyl)-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Related CAS	38030-57-8 (unlabelled)
Canonical SMILES	CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI	InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+/i1D3
InChI Key	GGCUJPCCTQNTJF-LMOMAJEASA-N
Melting Point	160-162°C
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Yellow Solid
Storage	Store at -20°C