Chemical substance record

Rosoxacin

40034-42-2C₁₇H₁₄N₂O₃294.31 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid that is substituted by an ethyl group at position 1 and by a pyridin-4-yl group at position 7. An antibacterial drug, active against Neisseria gonorrhoeae, it has been used for treating urinary tract infections and certain sexually transmitted diseases. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	40034-42-2	ChEBI ↗
Molecular formula	C₁₇H₁₄N₂O₃	ChEBI ↗
Molar mass	294.31 g/mol	ChEBI ↗
Monoisotopic mass	294.10044 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:131715	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	294.30 g/mol	PubChem ↗
Exact mass	294.10044231 Da	PubChem ↗
Computed XLogP	0.6	PubChem ↗
Topological polar surface area (Å²)	70.5	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	5	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

rosoxacin

IUPAC name

1-ethyl-4-oxo-7-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxylic acid

InChIKey

XBPZXDSZHPDXQU-UHFFFAOYSA-N

SMILES

CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21

InChI

InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)

Names & synonyms

1-ethyl-4-oxo-7-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxylic acidEradacilrosoxacinarosoxacinerosoxacinum

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

Classification & relationships

ChEBI ontology

pyridinesChEBI parent class · 26421 ↗quinolinemonocarboxylic acidChEBI parent class · 26512 ↗quinolone antibioticChEBI parent class · 86324 ↗

carboxylic acid organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antibacterial agentantiinfective agentantibacterial drug

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

0.00339778 mol

Uses 294.31 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 · 17 atoms

69.38%

O

Oxygen · 3 atoms

16.31%

N

Nitrogen · 2 atoms

9.52%

H

Hydrogen · 14 atoms

4.79%

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

A selective spectrophotometric method for determination of rosoxacin antibiotic using sodium nitroprusside as a chromogenic reagent. ↗Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy · 2008 Apr · PMID 17804284

Rosoxacin in the treatment of uncomplicated acute gonococcal urethritis. ↗Journal of postgraduate medicine · 1990 Oct · PMID 1966732

DE2224090 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3753993 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3907808 · 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:131715

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

Additional molecular descriptorsNCBI PubChem · CID 287180 · 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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