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D2069

Sigma-Aldrich

Desvenlafaxine hydrochloride

≥98% (HPLC), powder

Synonym(s):

4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]-phenol hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C16H25NO2 · HCl
CAS Number:
300827-87-6
Molecular Weight:
299.84
MDL number:
MFCD11045287
UNSPSC Code:
12352200
PubChem Substance ID:
329798729
NACRES:
NA.77

Quality Level

100

Assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to off-white

solubility

DMSO: >20 mg/mL
H2O: >20 mg/mL

originator

Wyeth

storage temp.

2-8°C

SMILES string

Cl.CN(C)CC(c1ccc(O)cc1)C2(O)CCCCC2

InChI

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

InChI key

IMWPSXHIEURNKZ-UHFFFAOYSA-N

Application

Desvenlafaxine hydrochloride has been used to evaluate if its occurrence in drinking water at environmental concentrations could induce neuronal gene expression.

Biochem/physiol Actions

Desvenlafaxine hydrochloride is a dual SERT/NET reuptake inhibitor. It is a major active metabolite of venlafaxine (#542); brain penetrant; Ki = 40 nM and 122 nM for hSERT and hNET, respectively (weak binding at the hDAT). Inhibition of [3H]5-HT or [3H]NE uptake for the hSERT or hNET produced IC50 values of 47 and 531 nM.
Desvenlafaxine hydrochloride is a psychoactive drug. Incidence of this drug in environmental samples might induce in vitro gene expression associated with neurological disorders.

Features and Benefits

This compound is featured on the Biogenic Amine Transporters page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.
This compound was developed by Wyeth. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Psychoactive pharmaceuticals at environmental concentrations induce in vitro gene expression associated with neurological disorders
Kaushik G, et al.
BMC Genomics, 17(3), 435-435 (2016)
Dysregulation of autism-associated synaptic proteins by psychoactive pharmaceuticals at environmental concentrations
Kaushik G, et al.
Neuroscience Letters, 661(3), 143-148 (2017)
Alessandro Atzei et al.
International journal of environmental research and public health, 18(13) (2021-07-03)
Humans are exposed daily to complex mixtures of chemical substances via food intake, inhalation, and dermal contact. Developmental neurotoxicity is an understudied area and entails one of the most complex areas in toxicology. Animal studies for developmental neurotoxicity (DNT) are

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