ESCITALOPRAM OXALATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2002)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 5U85DBW7LO
Parent Compound: ESCITALOPRAM

Structure
InChI Key KTGRHKOEFSJQNS-BDQAORGHSA-N
Smile CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O
InChI
InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23FN2O5
Molecular Weight 414.43
AlogP 3.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 36.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serotonin transporter inhibitor DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 1 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 3 D003866 ClinicalTrials
Panic Disorder 2 D016584 ClinicalTrials
Spinal Cord Injuries 1 D013119 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
17.97
Nervous system disorders
16.5
General disorders and administration site conditions
11.71
Injury, poisoning and procedural complications
8.7
Gastrointestinal disorders
5.31
Vascular disorders
4.98
Cardiac disorders
4.68
Musculoskeletal and connective tissue disorders
3.87
Skin and subcutaneous tissue disorders
3.45
Investigations
3.42
Respiratory, thoracic and mediastinal disorders
2.63
Metabolism and nutrition disorders
2.4
Pregnancy, puerperium and perinatal conditions
2.16

Cross References

Resources Reference
ChEMBL CHEMBL1200322
EPA CompTox DTXSID1046003
FDA SRS 5U85DBW7LO
PubChem 146571
SureChEMBL SCHEMBL35123
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