Venlafaxine

Synonyms: venlafaxine, "Elafax", "D,L-Venlafaxine", "Venlafaxina", "Venlafaxinum", "1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)cyclohexanol", "1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol", "Efectin", "1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol", "Venlafaxin", "Venlafexine", "VenlafaxineXR".

Source: venlafaxine is a safe and well-tolerated analgesic drug for the symptomatic treatment of neuropathic pain.

Identifiers:

IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CAS Number: 93413-69-5
PubChem ID: 5656
InChiKey: PNVNVHUZROJLTJ-UHFFFAOYSA-N
Canonical SMILES: CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O

Structural Properties:

Molecular Formula: C₁₇H₂₇NO₂
Molecular Weight: 277.4

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 20

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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