U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
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

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
N,O-DIDESMETHYLVENLAFAXINE
Common Name English
N,O-DIDESVENLAFAXINE
Common Name English
DESVENLAFAXINE RELATED COMPOUND B [USP IMPURITY]
Common Name English
PHENOL, 4-(1-(1-HYDROXYCYCLOHEXYL)-2-(METHYLAMINO)ETHYL)-
Systematic Name English
DESVENLAFAXINE RELATED COMPOUND B [USP-RS]
Common Name English
4-(1-(1-HYDROXYCYCLOHEXYL)-2-(METHYLAMINO)ETHYL)PHENOL
Systematic Name English
Code System Code Type Description
RS_ITEM_NUM
1175795
Created by admin on Sat Dec 16 04:48:49 GMT 2023 , Edited by admin on Sat Dec 16 04:48:49 GMT 2023
PRIMARY
CAS
135308-74-6
Created by admin on Sat Dec 16 04:48:49 GMT 2023 , Edited by admin on Sat Dec 16 04:48:49 GMT 2023
PRIMARY
PUBCHEM
3451347
Created by admin on Sat Dec 16 04:48:49 GMT 2023 , Edited by admin on Sat Dec 16 04:48:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID10891441
Created by admin on Sat Dec 16 04:48:49 GMT 2023 , Edited by admin on Sat Dec 16 04:48:49 GMT 2023
PRIMARY
FDA UNII
DYW3W9739Y
Created by admin on Sat Dec 16 04:48:49 GMT 2023 , Edited by admin on Sat Dec 16 04:48:49 GMT 2023
PRIMARY