chempirical

Venlafaxine hydrochloride

C17H28ClNO2CAS 99300-78-4313.87 g/mol

Open in Covalent MOL file
ONOHHCl
AlcoholEtherTertiary amine

Properties

Molecular formula
C17H28ClNO2
Molar mass
313.87 g/mol
Exact mass
313.1809 Da
Melting point
215–217 °C
logP
3.46Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
99300-78-4
SMILES
COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl
InChIKey
QYRYFNHXARDNFZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO2.ClH/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;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1-(2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl)cyclohexanol hydrochloride
  • VENTAB
  • Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, hydrochloride (1:1)
  • Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, hydrochloride
  • Wy 45030
  • Effexor
  • Efexor
  • Wy 4530
  • Venlafaxin hydrochloride
  • Ventab XL
  • Vexor
  • Venlift
  • VENIZ-XR

Work with Venlafaxine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Venlafaxine93413-69-593 % similar 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride130198-05-970 % similar Desvenlafaxine93413-62-864 % similar 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol93413-77-563 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-952 % similar 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol93413-76-452 % similar Tramadol hydrochloride22204-88-246 % similar Tramadol27203-92-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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