Structure

InChI Key CUZMOIXUFHOLLN-UMVVUDSKSA-N
Smiles Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl.O
InChI
InChI=1S/C19H22N2.ClH.H2O/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;;/h2-3,6-12H,4-5,13-15H2,1H3;1H;1H2/b18-11+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2O
Molecular Weight 332.88
AlogP 3.92
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed Wikipedia

Target Conservation

Protein: Histamine H1 receptor

Description: Histamine H1 receptor

Organism : Homo sapiens

P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 32265
ChEMBL CHEMBL3188034
FDA SRS YAN7R5L890
PubChem 5282442
SureChEMBL SCHEMBL1140974