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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8361 desvenlafaxine
Synonyms Click here for help
O-desmethylvenlafaxine (ODV) | Pristiq® | WY-45233
Database Links Click here for help
CAS Registry No. 93413-62-8
ChEMBL Ligand CHEMBL1118
DrugBank Ligand DB06700
DrugCentral Ligand 4380
GtoPdb PubChem SID 178103733
PubChem CID 125017
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UniChem Compound Search for chemical match using the InChIKey KYYIDSXMWOZKMP-UHFFFAOYSA-N
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Wikipedia Desvenlafaxine