LEVOCETIRIZINE DIHYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII SOD6A38AGA
Parent Compound: LEVOCETIRIZINE

Structure

InChI Key PGLIUCLTXOYQMV-GHVWMZMZSA-N
Smiles Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27Cl3N2O3
Molecular Weight 461.82
AlogP 3.15
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 53.01
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 50 -

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEMBL CHEMBL1201190
FDA SRS SOD6A38AGA
PubChem 9955977
SureChEMBL SCHEMBL144375
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