EcoDrugPlus


Synonyms	Decapryn Doxy-Sleep-Aid Doxylamine Unisom
Status
Molecule Category	Free-form
ATC	R06AA09
UNII	95QB77JKPL
EPA CompTox	DTXSID1022970


InChI Key	HCFDWZZGGLSKEP-UHFFFAOYSA-N
Smiles	CN(C)CCOC(C)(c1ccccc1)c1ccccn1
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

Property Name	Value
Molecular Formula	C17H22N2O
Molecular Weight	270.38
AlogP	2.92
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	25.36
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Resources	Reference
ChEBI	51380
ChEMBL	CHEMBL1004
DrugBank	DB00366
DrugCentral	962
FDA SRS	95QB77JKPL
Human Metabolome Database	HMDB0001936
Guide to Pharmacology	7171
PharmGKB	PA449419
PubChem	3162
SureChEMBL	SCHEMBL4709

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DOXYLAMINE

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