DOXYLAMINE


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


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H22N2O
Molecular Weight	270.38
AlogP	2.92
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	25.36
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Related Entries

Cross References

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

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).