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Details

Stereochemistry RACEMIC
Molecular Formula C15H23NO2
Molecular Weight 249.3486
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,O-DIDESMETHYLVENLAFAXINE

SMILES

CNCC(C1=CC=C(O)C=C1)C2(O)CCCCC2

InChI

InChIKey=MMSWXJSQCAEDLK-UHFFFAOYSA-N
InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H23NO2
Molecular Weight 249.3486
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

N,O-Didesmethylvenlafaxine is a metabolite of venlafaxine, an antidepressant of the serotonin-norepinephrine reuptake inhibitor (SNRI) class. In humans, venlafaxine is biotransformed for the most part by CYP2D6 and CYP2C19 isoenzymes to its major metabolite O-desmethylvenlafaxine, and in parallel to N-desmethylvenlafaxine and N,O-didesmethylvenlafaxine. It was shown, that CYP2D6 genotype influenced the O-demethylation whereas CYP2C19 influenced the N-demethylation of venlafaxine and its metabolites.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
DYW3W9739Y
Record Status Validated (UNII)
Record Version