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2-Phenylbutyric Acid-[d5]

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General Information
Catalog: BLP-002626
CAS: 1189708-92-6
Molecular Formula: C10H7D5O2
Molecular Weight: 169.23

Chemical Structure

Description	2-Phenylbutyric Acid-[d5] is the labelled analogue of 2-Phenylbutyric Acid, which is a metabolite of Butamirate. Butamirate is a cough suppressant.
Synonyms	2-Phenylbutyric Acid D5; 2-(Ethyl-d5)-2-phenylacetic Acid; α-(Ethyl-d5)benzeneacetic Acid; (RS)-2-Phenylbutanoic Acid-d5; (+/-)-2-Phenylbutanoic Acid-d5; α-(Ethyl-d5)-α-toluic Acid; α-(Ethyl-d5)phenylacetic Acid
IUPAC Name	3,3,4,4,4-pentadeuterio-2-phenylbutanoic acid
Related CAS	90-27-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C(C1=CC=CC=C1)C(=O)O
Canonical SMILES	CCC(C1=CC=CC=C1)C(=O)O
InChI	InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/i1D3,2D2
InChI Key	OFJWFSNDPCAWDK-ZBJDZAJPSA-N
Melting Point	39-42 °C
Solubility	Slightly soluble in Chloroform, DMSO
Appearance	White to Off-white Low-melting Solid
Storage	2-8 °C