N-Desmethylvenlafaxine hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H25NO2.ClH
Molecular Weight	299.836
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Desmethylvenlafaxine hydrochloride

Structure Search

SMILES

Cl.CNCC(C1=CC=C(OC)C=C1)C2(O)CCCCC2

InChI

InChIKey=HWPAFKGYJZARRM-UHFFFAOYSA-N

InChI=1S/C16H25NO2.ClH/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13;/h6-9,15,17-18H,3-5,10-12H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula	C16H25NO2
Molecular Weight	263.3752
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Norepinephrine transporter 197 Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1976813	Inhibitor 8504		4700.0 nM [IC50]
Serotonin transporter 183 Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1976813	Inhibitor 8504		1600.0 nM [IC50]

PubMed

Title	Date	PubMed
Influence of CYP2D6 genotype on the disposition of the enantiomers of venlafaxine and its major metabolites in postmortem femoral blood.	2012-01-10	21840145

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:34:34 GMT 2025` Edited by `admin` on `Wed Apr 02 19:34:34 GMT 2025`
Record UNII	TC726N6RGK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Wy-45494

Preferred Name

English

N-Desmethylvenlafaxine hydrochloride

Common Name

English

Cyclohexanol, 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]-, hydrochloride, (±)-

Systematic Name

English

Cyclohexanol, 1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]-, hydrochloride

Systematic Name

English

(±)-N-desmethyl Venlafaxine hydrochloride

Common Name

English

1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol hydrochloride

Systematic Name

English

Code System Code Type Description

FDA UNII

TC726N6RGK

Created by admin on Wed Apr 02 19:34:34 GMT 2025 , Edited by admin on Wed Apr 02 19:34:34 GMT 2025

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CAS

93413-90-2

Created by admin on Wed Apr 02 19:34:34 GMT 2025 , Edited by admin on Wed Apr 02 19:34:34 GMT 2025

PRIMARY

PUBCHEM

13520312

Created by admin on Wed Apr 02 19:34:34 GMT 2025 , Edited by admin on Wed Apr 02 19:34:34 GMT 2025

PRIMARY

EPA CompTox

DTXSID80542837

Created by admin on Wed Apr 02 19:34:34 GMT 2025 , Edited by admin on Wed Apr 02 19:34:34 GMT 2025

PRIMARY

Related Record Type Details


					19V5EX4E8B

N-DESMETHYLVENLAFAXINE

PARENT -> SALT/SOLVATE

Amount: