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Details

Stereochemistry RACEMIC
Molecular Formula C15H23NO2.ClH
Molecular Weight 285.81
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-DIDESMETHYLVENLAFAXINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=NTKXIDDUCSFBBF-UHFFFAOYSA-N
InChI=1S/C15H23NO2.ClH/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;1H

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 ( + / - )
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

Description

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

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2778
 900.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Patents

04535186
3
04611078
3
04761501
4
07179944
2
07563931
2
20030114711
2

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 11:22:14 GMT 2023
Edited
by admin
on Sat Dec 16 11:22:14 GMT 2023
Record UNII
O00PWS7DPA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-DIDESMETHYLVENLAFAXINE HYDROCHLORIDE
Common Name English
1-(2-AMINO-1-(4-METHOXYPHENYL)ETHYL)CYCLOHEXANOL HYDROCHLORIDE
Systematic Name English
N,N-DIDESMETHYLVENLAFAXINE HYDROCHLORIDE, (±)-
Common Name English
CYCLOHEXANOL, 1-(2-AMINO-1-(4-METHOXYPHENYL)ETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
1-(2-AMINO-1-(P-METHOXYPHENYL)ETHYL)CYCLOHEXANOL HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
130198-05-9
Created by admin on Sat Dec 16 11:22:14 GMT 2023 , Edited by admin on Sat Dec 16 11:22:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID70893729
Created by admin on Sat Dec 16 11:22:14 GMT 2023 , Edited by admin on Sat Dec 16 11:22:14 GMT 2023
PRIMARY
FDA UNII
O00PWS7DPA
Created by admin on Sat Dec 16 11:22:14 GMT 2023 , Edited by admin on Sat Dec 16 11:22:14 GMT 2023
PRIMARY
PUBCHEM
9795856
Created by admin on Sat Dec 16 11:22:14 GMT 2023 , Edited by admin on Sat Dec 16 11:22:14 GMT 2023
PRIMARY
Related Record Type Details
Structure of N,N-DIDESMETHYLVENLAFAXINE
PARENT -> SALT/SOLVATE
NIH
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