EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2W07HSP5PX
EPA CompTox	DTXSID7046889

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2W07HSP5PX

EPA CompTox

DTXSID7046889


InChI Key	RGLLOUBXMOGLDQ-IVEVATEUSA-N
Smiles	OC1(C)CCC2C3CCC4CC5=NON=C5CC4(C)C3CCC21C
InChI	InChI=1/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3

InChI Key

RGLLOUBXMOGLDQ-IVEVATEUSA-N

Smiles

OC1(C)CCC2C3CCC4CC5=NON=C5CC4(C)C3CCC21C

InChI

InChI=1/C20H30N2O2/c1-18-11-17-16(21-24-22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)23/h12-15,23H,4-11H2,1-3H3

Property Name	Value
Molecular Formula	C20H30N2O2
Molecular Weight	330.23
AlogP	3.78
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Polar Surface Area	59.15
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H30N2O2

Molecular Weight

330.23

AlogP

3.78

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Polar Surface Area

59.15

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	1239-29-8
NORMAN SUSDAT
FDA SRS	2W07HSP5PX
PubChem	14708

Resources

Reference

CAS NUMBER

1239-29-8

NORMAN SUSDAT

FDA SRS

2W07HSP5PX

PubChem

14708

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

FURAZABOL

Structure

Physicochemical Descriptors

Cross References