ETILEFRINE


Synonyms	Apocretin Cardanat Circupon Corcanfol Dl-etilefrin Effontil Effortil Effortil depot perlongetten Efortil Ethylefrine Etilefrin Etilefrin hydrochloride Etilefrine Etilefrine hcl Etilefrine hydrochloride Kertasin N-ethylnorphenylephrine Phetanol Pulsamin S-40032 S-40032-7 Thomasin Updormin
Status
Molecule Category	Free-form
ATC	C01CA01
UNII	ZB6F8MY53V
EPA CompTox	DTXSID1023029


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

Structure


InChI Key	SQVIAVUSQAWMKL-UHFFFAOYSA-N
Smiles	CCNCC(O)c1cccc(O)c1
InChI	InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H15NO2
Molecular Weight	181.24
AlogP	1.04
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	52.49
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	13.0

Related Entries

Cross References

Resources	Reference
ChEBI	91518
ChEMBL	CHEMBL86882
DrugBank	DB08985
DrugCentral	1101
FDA SRS	ZB6F8MY53V
PubChem	3306
SureChEMBL	SCHEMBL150802

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).