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Phenyl-[d5]-acetate

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General Information
Catalog: BLP-010058
CAS: 22705-26-6
Molecular Formula: C8H3D5O2
Molecular Weight: 141.18

Chemical Structure

Description	An isotopic form of Phenyl Acetate. Phenyl Acetate is a metabolite of Phenylbutyrate (PB), useful in the treatment of neuroblastoma and lung cancer.
Synonyms	Phenyl-d5 Acetic Acid Ester; Acetoxybenzene-d5; NSC 27795-d5
IUPAC Name	(2,3,4,5,6-pentadeuteriophenyl) acetate
Related CAS	122-79-2 (unlabelled)
Canonical SMILES	CC(=O)OC1=CC=CC=C1
InChI	InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3/i2D,3D,4D,5D,6D
InChI Key	WLJVXDMOQOGPHL-RALIUCGRSA-N
Boiling Point	265°C (lit.)
Melting Point	77-79°C (lit.)
Purity	98% atom D
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
Appearance	Colorless Oil
Storage	Store at RT