N,N-DIDESMETHYLVENLAFAXINE

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 Search

SMILES

COC1=CC=C(C=C1)C(CN)C2(O)CCCCC2

InChI

InChIKey=SUQHIQRIIBKNOR-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C15H23NO2
Molecular Weight	249.3486
Charge	0
Count

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

Description
Sources: https://www.scbt.com/scbt/product/1-2-amino-1-4-methoxyphenyl-ethylcyclohexanol-93413-77-5 | https://www.ncbi.nlm.nih.gov/pubmed/3790168

1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol (N,N-didesmethylvenlafaxine, also known as Venlafaxine EP Impurity C) is an intermediate in the synthesis of N,O-Didesmethylvenlafaxine and a metabolite of Venlafaxine, a serotonin-norepinephrine reuptake inhibitor (SNRI).

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Alpha-1a adrenergic receptor 66 Target ID: CHEMBL319 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1976813	Antagonist 2778		900.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
		252160400

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

N,N-didesmethylvenlafaxine inhibited binding of [3H]imipramine to imipramine receptor in rat brain with IC50 value of 900 nM.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:22:57 GMT 2023` Edited by `admin` on `Sat Dec 16 18:22:57 GMT 2023`
Record UNII	3235EO37UJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,N-DIDESMETHYLVENLAFAXINE

Common Name

English

VENLAFAXINE HYDROCHLORIDE IMPURITY, DIDESMETHYL VENLAFAXINE- [USP IMPURITY]

Common Name

English

CYCLOHEXANOL, 1-(2-AMINO-1-(4-METHOXYPHENYL)ETHYL)-

Systematic Name

English

DINORVENLAFAXINE

Common Name

English

2-(4-METHOXYPHENYL)-2-(1-HYDROXYCYCLOHEXYL)-ETHYLAMINE

Systematic Name

English

VENLAFAXINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Common Name

English

N,N-DIDESMETHYLVENLAFAXINE, (±)-

Common Name

English

1-(2-AMINO-1-(P-METHOXYPHENYL)ETHYL)CYCLOHEXANOL

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50891440

Created by admin on Sat Dec 16 18:22:57 GMT 2023 , Edited by admin on Sat Dec 16 18:22:57 GMT 2023

PRIMARY

FDA UNII

3235EO37UJ

Created by admin on Sat Dec 16 18:22:57 GMT 2023 , Edited by admin on Sat Dec 16 18:22:57 GMT 2023

PRIMARY

CAS

93413-77-5

Created by admin on Sat Dec 16 18:22:57 GMT 2023 , Edited by admin on Sat Dec 16 18:22:57 GMT 2023

PRIMARY

PUBCHEM

9795857

Created by admin on Sat Dec 16 18:22:57 GMT 2023 , Edited by admin on Sat Dec 16 18:22:57 GMT 2023

PRIMARY

Related Record Type Details


					O00PWS7DPA

N,N-DIDESMETHYLVENLAFAXINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					7D7RX5A8MO

VENLAFAXINE HYDROCHLORIDE

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP

Details

SMILES

InChI

DescriptionSources: https://www.scbt.com/scbt/product/1-2-amino-1-4-methoxyphenyl-ethylcyclohexanol-93413-77-5 | https://www.ncbi.nlm.nih.gov/pubmed/3790168

Approval Year

Targets

Conditions

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.scbt.com/scbt/product/1-2-amino-1-4-methoxyphenyl-ethylcyclohexanol-93413-77-5 | https://www.ncbi.nlm.nih.gov/pubmed/3790168