CITALOPRAM HYDROBROMIDE

Search structure
Synonyms:
Status: Approved (1998)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I1E9D14F36

Structure
InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
Smile Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChI
InChI=1S/C20H21FN2O.BrH/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;/h4-9,12H,3,10-11,14H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22BrFN2O
Molecular Weight 405.31
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 FDA Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 4 D003865 ClinicalTrials
Hot Flashes 3 D019584 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Panic Disorder 2 D016584 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1200781
EPA CompTox DTXSID40872344
FDA SRS I1E9D14F36
SureChEMBL SCHEMBL1118
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