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1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3]

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General Information
Catalog: BLP-007866
CAS: 1217072-99-5
Molecular Formula: C19H18D3N
Molecular Weight: 266.40

Chemical Structure

Description	1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] is the labelled analogue of 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene, which is an intermediate in the preparation of Vedaprofen.
Synonyms	1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-d3
IUPAC Name	2-(4-cyclohexylnaphthalen-1-yl)-3,3,3-trideuteriopropanenitrile
Isomeric SMILES	[2H]C([2H])([2H])C(C#N)C1=CC=C(C2=CC=CC=C21)C3CCCCC3
Canonical SMILES	CC(C#N)C1=CC=C(C2=CC=CC=C21)C3CCCCC3
InChI	InChI=1S/C19H21N/c1-14(13-20)16-11-12-17(15-7-3-2-4-8-15)19-10-6-5-9-18(16)19/h5-6,9-12,14-15H,2-4,7-8H2,1H3/i1D3
InChI Key	HTYSGPGOKDXWFH-FIBGUPNXSA-N
Purity	≥90%
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate
Appearance	Oily Matter
Storage	Store at -20°C