Chemical substance record

Secnidazole

3366-95-8C₇H₁₁N₃O₃185.183 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 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by Trichomonas vaginalis. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	3366-95-8	ChEBI ↗
Molecular formula	C₇H₁₁N₃O₃	ChEBI ↗
Molar mass	185.183 g/mol	ChEBI ↗
Monoisotopic mass	185.08004 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:140628	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	185.18 g/mol	PubChem ↗
Exact mass	185.08004122 Da	PubChem ↗
Computed XLogP	0.2	PubChem ↗
Topological polar surface area (Å²)	83.9	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	2	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

secnidazole

IUPAC name

1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol

InChIKey

KPQZUUQMTUIKBP-UHFFFAOYSA-N

SMILES

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

InChI

InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

Names & synonyms

1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-olFlagentylSecnidalsecnidazolsecnidazolumSolosec

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 ↗

alcohol organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antiamoebic agentantibacterial agentantiprotozoal 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

0.00540006 mol

Uses 185.183 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

45.40%

O

Oxygen · 3 atoms

25.92%

N

Nitrogen · 3 atoms

22.69%

H

Hydrogen · 11 atoms

5.99%

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

Lack of a Pharmacokinetic Interaction Between SYM-1219 Granules Containing 2 Grams of Secnidazole and a Combined Oral Contraceptive in a Phase 1, Randomized, Open-Label Study in Healthy Female Volunteers. ↗Advances in therapy · 2017 Jan · PMID 27744624

The efficacy of proanthocyanidins and secnidazole in the treatment of chronic periodontitis after scaling and root planing therapy. ↗Journal of biological regulators and homeostatic agents · 2017 Jan-Mar · PMID 28337876

US4920141 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US4925951 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US4925952 · 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:140628

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

Additional molecular descriptorsNCBI PubChem · CID 71815 · 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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