EcoDrugPlus


Synonyms	Ambroxol Ambroxol hydrochloride Tabcin
Status
Keyword(s):	Drinking Water Chemicals ; Human Metabolites; Investigational;Bioacitve chemical; Agrochemical
Molecule Category	Free-form
ATC	R05CB06
UNII	200168S0CL
EPA CompTox	DTXSID8022583


InChI Key	JBDGDEWWOUBZPM-XYPYZODXSA-N
Smiles	Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1
InChI	InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-

Property Name	Value
Molecular Formula	C13H18Br2N2O
Molecular Weight	378.11
AlogP	3.19
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	58.28
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	18.0

Resources	Reference
ChEBI	135590
ChEMBL	CHEMBL153479
DrugBank	DB06742
DrugCentral	147
FDA SRS	200168S0CL
Guide to Pharmacology	10692
SureChEMBL	SCHEMBL18702
ZINC	ZINC000100070274

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

AMBROXOL

Structure

Physicochemical Descriptors

Related Entries

Cross References