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4-(2-Oxiranylmethoxy-[d5])benzeneacetic Acid Ethyl Ester

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General Information
Catalog: BLP-007765
CAS: 1189858-70-5
Molecular Formula: C13H11D5O4
Molecular Weight: 241.29

Chemical Structure

Description	4-(2-Oxiranylmethoxy-[d5])benzeneacetic Acid Ethyl Ester is a labelled impurity of Metoprolol.
Synonyms	4-(Oxiranylmethoxy-d5)benzeneacetic Acid Ethyl Ester
IUPAC Name	ethyl 2-[4-[dideuterio-(2,3,3-trideuteriooxiran-2-yl)methoxy]phenyl]acetate
Related CAS	76805-25-9 (unlabelled)
Isomeric SMILES	[2H]C1(C(O1)([2H])C([2H])([2H])OC2=CC=C(C=C2)CC(=O)OCC)[2H]
Canonical SMILES	CCOC(=O)CC1=CC=C(C=C1)OCC2CO2
InChI	InChI=1S/C13H16O4/c1-2-15-13(14)7-10-3-5-11(6-4-10)16-8-12-9-17-12/h3-6,12H,2,7-9H2,1H3/i8D2,9D2,12D
InChI Key	QZHLDJPUZBXUSM-FPWSDNDASA-N
Solubility	Soluble in Dichloromethane, Ethyl Acetate