EcoDrugPlus


Synonyms	Bromhexine Fluibron
Status
Molecule Category	Free-form
ATC	R05CB02
UNII	Q1J152VB1P
EPA CompTox	DTXSID6022686


InChI Key	OJGDCBLYJGHCIH-UHFFFAOYSA-N
Smiles	CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
InChI	InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3

Property Name	Value
Molecular Formula	C14H20Br2N2
Molecular Weight	376.14
AlogP	4.56
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	29.26
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	18.0

Resources	Reference
ChEBI	77032
ChEMBL	CHEMBL253376
DrugBank	DB09019
DrugCentral	402
FDA SRS	Q1J152VB1P
Guide to Pharmacology	11218
PubChem	2442
SureChEMBL	SCHEMBL19059
ZINC	ZINC000000608220

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

BROMHEXINE

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