Venlafaxine

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Systematic / IUPAC Name: 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol

ID: Reference1172

Other Names: Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-;
N,N-Dimethyl-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethylamine;
Elafax;
Efectin;
Venlafaxin

Formula: C17H27NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Venlafaxine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 288
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/1/2016 12:49:01 PM
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Identificators

InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChI Key PNVNVHUZROJLTJ-UHFFFAOYSA-N
Canonical SMILES CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
CAS 93413695
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Other Names Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-;
N,N-Dimethyl-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethylamine;
Elafax;
Efectin;
Venlafaxin

In Other Databases

ChEBI CHEBI:9943
ChemIDPlus 093413695
DrugBank APRD00125
Wikipedia Venlafaxine
ChEMBL CHEMBL637
HMDb HMDB05016
ChemSpider 5454
PubChem 5656
KEGG C07187; D08670