Structure

InChI Key ANOMHKZSQFYSBR-UHFFFAOYSA-N
Smiles Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29Cl3N2O2
Molecular Weight 447.83
AlogP 3.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 35.94
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

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

Target Conservation

Protein: Histamine H1 receptor

Description: Histamine H1 receptor

Organism : Homo sapiens

P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 5819
ChEMBL CHEMBL3186993
FDA SRS GF8H55RPZ9
Guide to Pharmacology 7199
KEGG C07045
PubChem 91513
SureChEMBL SCHEMBL41449
ZINC ZINC19364224