Structure

Loratadine

CAS
79794-75-5
Catalog Number
ACM79794755
Category
Inhibitors
Molecular Weight
382.88
Molecular Formula
C22H23ClN2O2

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Specification

Description
Loratadine (SCH-29851) is a selective inverse peripheral histamine H1-receptor agonist with an IC50 of >32 μM. Loratadine has anti-dengue-virus (DENV) activity. Loratadine can inhibit immunologic release of inflammatory mediators.
Synonyms
Claritin
IUPAC Name
Ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Canonical SMILES
CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI
InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChI Key
JCCNYMKQOSZNPW-UHFFFAOYSA-N
Boiling Point
531.3±50.0 °C
Melting Point
134-136 °C
Flash Point
275.1 °C
Density
1.261±0.06 g/cm³
Appearance
White powder
Storage
2-8 °C
Complexity
569
Exact Mass
382.1448057
Monoisotopic Mass
382.1448057
pKa
4.27±0.20(Predicted)
Topological Polar Surface Area
42.4 Ų
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