DESVENLAFAXINE FUMARATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII R5JHD7L72A

Structure

InChI Key YETWCSLOYUZBLK-JITBQSAISA-N
Smiles CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C16H25NO2.C4H4O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H31NO7
Molecular Weight 397.47
AlogP 2.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 43.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR FDA

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546
Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

Resources Reference
ChEMBL CHEMBL3989861
FDA SRS R5JHD7L72A
PubChem 13520322
SureChEMBL SCHEMBL3405491
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