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α-(1-Hydroxycyclohexyl)-4-methoxy-benzeneacetonitrile-[d6]

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General Information
Catalog: BLP-006943
CAS: 1020719-31-6
Molecular Formula: C15H13D6NO2
Molecular Weight: 251.35

Chemical Structure

Description	α-(1-Hydroxycyclohexyl)-4-methoxy-benzeneacetonitrile-[d6] is the labelled analogue of α-(1-Hydroxycyclohexyl)-4-methoxy-benzeneacetonitrile, which is an intermediate in the synthesis of the metabolite of Venlafaxine.
Synonyms	α-(1-Hydroxycyclohexyl)-4-methoxy-benzeneacetonitrile-d6; α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxy-benzeneacetonitrile; Benzeneacetonitrile, α-(1-Hydroxycyclohexyl-3,3,4,4,5,5-d6)-4-methoxy-
IUPAC Name	2-(3,3,4,4,5,5-hexadeuterio-1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
Related CAS	93413-76-4 (unlabelled)
Isomeric SMILES	[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(C#N)C2=CC=C(C=C2)OC)O)[2H]
Canonical SMILES	COC1=CC=C(C=C1)C(C#N)C2(CCCCC2)O
InChI	InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3/i2D2,3D2,4D2
InChI Key	ASYJSBPNAIDUHX-PWDWWLAZSA-N
Purity	95%
Solubility	Soluble in Chloroform, Ethanol, Ethyl Acetate
Appearance	White Powder
Application	A deuterated intermediate in the synthesis of the metabolite of Venlafaxine, a selective serotonin noradrenaline reuptake inhibitor. Used as an antidepressant.