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4-Acetylbutyric Acid-[d5]

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General Information
Catalog: BLP-002833
CAS: 1246817-13-9
Molecular Formula: C6H5D5O3
Molecular Weight: 135.17

Chemical Structure

Description	4-Acetylbutyric Acid-[d5] is the labelled analogue of 4-Acetylbutyric Acid. 4-Acetylbutyric Acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. Also used to prepare PARP inhibitors for the treatment of cancer as well.
Synonyms	4-Acetylbutyric Acid-d5; 5-Oxo-hexanoic Acid-d5; 5-Ketocaproic Acid-d5; 5-Ketohexanoic Acid-d5; 5-Oxocaproic Acid-d5; NSC 5281-d5
IUPAC Name	4,4,6,6,6-pentadeuterio-5-oxohexanoic acid
Related CAS	3128-06-1 (unlabelled)
Canonical SMILES	CC(=O)CCCC(=O)O
InChI	InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)/i1D3,3D2
InChI Key	MGTZCLMLSSAXLD-WNWXXORZSA-N
Purity	95%
Solubility	Soluble in Chloroform, Dioxane, Ethyl Acetate
Appearance	Pale Yellow Low Melting Solid
Storage	2-8 °C under inert atmosphere