Structure

InChI Key SOYKEARSMXGVTM-UHFFFAOYSA-N
Smile CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
InChI
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19ClN2
Molecular Weight 274.8
AlogP 3.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Primary Target
H1 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypersensitivity 4 D006967 ClinicalTrials
Influenza, Human 3 D007251 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials
Sunburn 2 D013471 ClinicalTrials
Hepatitis B, Chronic 2 D019694 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 132-22-9
ChEBI 52010
ChEMBL CHEMBL505
DrugBank DB01114
DrugCentral 616
EPA CompTox DTXSID0022804
FDA SRS 3U6IO1965U
Human Metabolome Database HMDB0001944
Guide to Pharmacology 6976
KEGG C06905
PharmGKB PA448960
PubChem 2725
SureChEMBL SCHEMBL4219