doxylamine

Ligand id: 7171

Name: doxylamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 25.36
Molecular weight 270.17
XLogP 4.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1948))
IUPAC Name
dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
International Nonproprietary Names
INN number INN
1782 doxylamine
Synonyms
Unisom®
Database Links
CAS Registry No. 469-21-6
ChEMBL Ligand CHEMBL1004
DrugBank Ligand DB00366
GtoPdb PubChem SID 178103746
PubChem CID 3162
Search Google for chemical match using the InChIKey HCFDWZZGGLSKEP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HCFDWZZGGLSKEP
Search PubMed clinical trials doxylamine
Search PubMed titles doxylamine
Search PubMed titles/abstracts doxylamine
Search UniChem for chemical match using the InChIKey HCFDWZZGGLSKEP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HCFDWZZGGLSKEP
Wikipedia Doxylamine
Comments
Doxylamine is an antihistamine.