EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G5MIG3753N
EPA CompTox	DTXSID00186797

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G5MIG3753N

EPA CompTox

DTXSID00186797


InChI Key	PLZMRGRLCWCLFW-UHFFFAOYSA-N
Smiles	Brc1cccc(c1)c2nnn(CCC(=O)N3CCCCC3)n2
InChI	InChI=1S/C15H18BrN5O/c16-13-6-4-5-12(11-13)15-17-19-21(18-15)10-7-14(22)20-8-2-1-3-9-20/h4-6,11H,1-3,7-10H2

InChI Key

PLZMRGRLCWCLFW-UHFFFAOYSA-N

Smiles

Brc1cccc(c1)c2nnn(CCC(=O)N3CCCCC3)n2

InChI

InChI=1S/C15H18BrN5O/c16-13-6-4-5-12(11-13)15-17-19-21(18-15)10-7-14(22)20-8-2-1-3-9-20/h4-6,11H,1-3,7-10H2

Property Name	Value
Molecular Formula	C15H18Br1N5O1
Molecular Weight	363.07
AlogP	2.51
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	4.0
Polar Surface Area	63.91
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C15H18Br1N5O1

Molecular Weight

363.07

AlogP

2.51

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

4.0

Polar Surface Area

63.91

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	33144-79-5
NORMAN SUSDAT
FDA SRS	G5MIG3753N

Resources

Reference

CAS NUMBER

33144-79-5

NORMAN SUSDAT

FDA SRS

G5MIG3753N

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

BROPERAMOLE

Structure

Physicochemical Descriptors

Cross References