EcoDrugPlus


Synonyms	Bamethan Vasolat
Status
Molecule Category	Free-form
ATC	C04AA31
UNII	Y08ZFJ9TFK
EPA CompTox	DTXSID5046144


InChI Key	RDUHXGIIUDVSHR-UHFFFAOYSA-N
Smiles	CCCCNCC(O)c1ccc(O)cc1
InChI	InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3

Property Name	Value
Molecular Formula	C12H19NO2
Molecular Weight	209.29
AlogP	1.82
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	52.49
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	15.0

Resources	Reference
ChEMBL	CHEMBL1987462
DrugBank	DB13206
DrugCentral	286
FDA SRS	Y08ZFJ9TFK
PubChem	2292
SureChEMBL	SCHEMBL120958

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

BAMETHAN

Structure

Physicochemical Descriptors

Related Entries

Cross References