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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1948))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1782 doxylamine
Synonyms Click here for help
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
Search Google for chemical match using the InChIKey HCFDWZZGGLSKEP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey HCFDWZZGGLSKEP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HCFDWZZGGLSKEP-UHFFFAOYSA-N
Wikipedia Doxylamine