doxylamine   Click here for help

GtoPdb Ligand ID: 7171

Synonyms: Unisom®
Approved drug
doxylamine is an approved drug (FDA (1948))
Compound class: Synthetic organic
Comment: Doxylamine is an antihistamine.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 25.36
Molecular weight 270.17
XLogP 2.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCOC(c1ccccn1)(c1ccccc1)C)C
Isomeric SMILES CN(CCOC(c1ccccn1)(c1ccccc1)C)C
InChI InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
InChI Key HCFDWZZGGLSKEP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1948))
IUPAC Name Click here for help
dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
International Nonproprietary Names Click here for help
INN number INN
1782 doxylamine
Synonyms Click here for help
Unisom®
Database Links Click here for help
CAS Registry No. 469-21-6
ChEMBL Ligand CHEMBL1004
DrugBank Ligand DB00366
DrugCentral Ligand 962
GtoPdb PubChem SID 178103746
PubChem CID 3162
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Wikipedia Doxylamine