Chemical substance record

Ornidazole

16773-42-5C₇H₁₀ClN₃O₃219.628 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 3-chloro-2-hydroxypropyl and methyl groups, respectively. It is used in the treatment of susceptible protozoal infections and for the treatment of anaerobic bacterial infections. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	16773-42-5	ChEBI ↗
Molecular formula	C₇H₁₀ClN₃O₃	ChEBI ↗
Molar mass	219.628 g/mol	ChEBI ↗
Monoisotopic mass	219.04107 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:75176	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	219.62 g/mol	PubChem ↗
Exact mass	219.0410689 Da	PubChem ↗
Computed XLogP	0.6	PubChem ↗
Topological polar surface area (Å²)	83.9	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	3	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

ornidazole

IUPAC name

1-chloro-3-(2-methyl-5-nitro-1N-imidazol-1-yl)propan-2-ol

InChIKey

IPWKIXLWTCNBKN-UHFFFAOYSA-N

SMILES

Cc1ncc([N+](=O)[O-])n1CC(O)CCl

InChI

InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3

Names & synonyms

1-chloro-3-(2-methyl-5-nitro-1N-imidazol-1-yl)propan-2-olornidazolornidazolum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

imidazolesChEBI parent class · 24780 ↗secondary alcoholChEBI parent class · 35681 ↗C-nitro compoundChEBI parent class · 35716 ↗organochlorine compoundChEBI parent class · 36683 ↗

alcohol organochlorine compound organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antiamoebic agentantibacterial agentantiinfective agentantineoplastic agentantiprotozoal drugantibacterial drugantitrichomonal drugepitope

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00455315 mol

Uses 219.628 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 7 atoms

38.28%

O

Oxygen · 3 atoms

21.85%

N

Nitrogen · 3 atoms

19.13%

Cl

Chlorine · 1 atom

16.14%

H

Hydrogen · 10 atoms

4.59%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Ornidazole for prophylaxis of postoperative Crohn's disease recurrence: a randomized, double-blind, placebo-controlled trial. ↗Gastroenterology · 2005 Apr · PMID 15825069

A comparative study of oral single dose of metronidazole, tinidazole, secnidazole and ornidazole in bacterial vaginosis. ↗Indian journal of pharmacology · 2012 Mar · PMID 22529484

NL6606853 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3435049 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3493582 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:75176

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 28061 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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