Desvenlafaxine

Synonyms: Desvenlafaxine, "O-Desmethylvenlafaxine", "4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol", "4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol", "O-desmethyl venlafaxine", "d,l-O-Desmethylvenlafaxine", "Wy-45233"

Source: Desvenlafaxine is used for the treatment of adult patients with major depressive disorder.

Identifiers:

IUPAC Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
CAS Number: 93413-62-8
PubChem ID: 125017
InChiKey: KYYIDSXMWOZKMP-UHFFFAOYSA-N
Canonical SMILES: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O

Structural Properties:

Molecular Formula: C₁₆H₂₅NO₂
Molecular Weight: 263,370

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 19

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Bernot, M. J., Becker, J. C., Doll, J., & Lauer, T. E. (2016). A national reconnaissance of trace organic compounds (TOCs) in United States lotic ecosystems. Science of the Total Environment, 572, 422-433.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure