Structure

InChI Key IPSVAUIEEPSJRZ-UHFFFAOYSA-N
Smile Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C21H27ClN2O2.ClH/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;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

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

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
17.22
Psychiatric disorders
15.55
General disorders and administration site conditions
12.79
Nervous system disorders
11.75
Respiratory, thoracic and mediastinal disorders
5.7
Cardiac disorders
5.47
Gastrointestinal disorders
4.64
Skin and subcutaneous tissue disorders
4.45
Vascular disorders
3.52
Investigations
3.09
Musculoskeletal and connective tissue disorders
2.87
Immune system disorders
2.83

Cross References

Resources Reference
ChEBI 5819
ChEMBL CHEMBL3186993
EPA CompTox DTXSID2040737
FDA SRS GF8H55RPZ9
Guide to Pharmacology 7199
KEGG C07045
PubChem 91513
SureChEMBL SCHEMBL41449
ZINC ZINC19364224