EcoDrugPlus


Trade Names	FLAGYL I.V. METRONIDAZOLE HYDROCHLORIDE
Synonyms	Flagyl Flagyl i.v. Metronidazole hcl Metronidazole hydrochloride SC-32642
Status
Molecule Category	Salt-form
UNII	76JC1633UF
EPA CompTox	DTXSID70219228
Parent Compound:	METRONIDAZOLE

Trade Names

FLAGYL I.V.

METRONIDAZOLE HYDROCHLORIDE

Synonyms

Flagyl

Flagyl i.v.

Metronidazole hcl

Metronidazole hydrochloride

SC-32642

Status

Molecule Category

Salt-form

UNII

76JC1633UF

EPA CompTox

DTXSID70219228

Parent Compound:

METRONIDAZOLE


InChI Key	FPTPAIQTXYFGJC-UHFFFAOYSA-N
Smiles	Cc1ncc([N+](=O)[O-])n1CCO.Cl
InChI	InChI=1S/C6H9N3O3.ClH/c1-5-7-4-6(9(11)12)8(5)2-3-10;/h4,10H,2-3H2,1H3;1H

InChI Key

FPTPAIQTXYFGJC-UHFFFAOYSA-N

Smiles

Cc1ncc([N+](=O)[O-])n1CCO.Cl

InChI

InChI=1S/C6H9N3O3.ClH/c1-5-7-4-6(9(11)12)8(5)2-3-10;/h4,10H,2-3H2,1H3;1H

Property Name	Value
Molecular Formula	C6H10ClN3O3
Molecular Weight	207.62
AlogP	0.09
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	81.19
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C6H10ClN3O3

Molecular Weight

207.62

AlogP

0.09

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

81.19

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

12.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	FDA Wikipedia

Mechanism of Action

Action

Reference

DNA inhibitor

INHIBITOR

FDA Wikipedia

Resources	Reference
ChEBI	50687
ChEMBL	CHEMBL1200869
FDA SRS	76JC1633UF
PubChem	68592
SureChEMBL	SCHEMBL21293782

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

METRONIDAZOLE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Metabolites Network

Pharmacology

Cross References