desvenlafaxine   Click here for help

GtoPdb Ligand ID: 7158

Synonyms: O-desmethylvenlafaxine (ODV) | Pristiq® | WY-45233
Approved drug
desvenlafaxine is an approved drug (FDA (2008))
Compound class: Synthetic organic
Comment: Desvenlafaxine belongs to the group of serotonin–norepinephrine reuptake inhibitors (SNRIs) which are antidepressants. Desvenlafaxine is the major active metabolite of venlafaxine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 43.7
Molecular weight 263.19
XLogP 2.51
No. Lipinski's rules broken 0
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Canonical SMILES CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C
Isomeric SMILES CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C
InChI InChI=1S/C16H25NO2/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
1. Dreyfus N, Myers JK, Badescu VO, de Frutos O, de la Puente ML, Ding C, Filla SA, Fynboe K, Gernert DL, Heinz BA et al.. (2013)
Discovery of a potent, dual serotonin and norepinephrine reuptake inhibitor.
ACS Med Chem Lett, 4 (6): 560-4. [PMID:24900709]