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645-12-55-Nitro-2-Furoic Acid Impurity

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Catalogue No.:	VE000019
CAS No.:	645-12-5
Mol. Formula:	C5H3NO5
Mol. Weight:	157.08 g/mol

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Additional information on CAS 645-12-5

Parent drug

Nitrofurantoin

IUPAC Name

5-Nitrofuran-2-carboxylic acid

Pharmacopoeial Synonyms

N/A

Other Synonyms

Nitrofurantoin Nitrofurate Impurity; Nitrofuroic Acid; 5-Nitro-2-furancarboxylic Acid; 5-Nitro-2-furoic Acid; 5-Nitro-2-furylcarboxylic Acid; 5-Nitrofuroic Acid; 5-Nitropyromucic Acid

Smiles

C1=C(OC(=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)

Description

5-Nitro-2-furoic acid, CAS 645-12-5, is a nitrofuran-derived aromatic heterocycle and a recognized impurity related to nitrofurantoin/nitrofurate chemistry. With molecular formula C5H3NO5 and molecular weight 157.08 g/mol, it is typically associated with oxidative degradation, hydrolytic cleavage, or process-related carryover from nitrofuran synthesis. The strongly electron-withdrawing nitro and carboxylic acid functionalities confer polarity and chromatographic behavior distinct from the parent drug. Trace measurement commonly requires LC-MS/MS or high-resolution LC-MS, with confirmatory UV and, where appropriate, GC-MS after derivatization. It is considered in impurity profiling under modern pharmaceutical and toxicological risk assessment frameworks.

References

Yi-Chang, Ni, et al. â€œMutagenicity of Nitrofurans in Salmonella Typhimurium TA98, TA98NR and TA98/1, 8-DNP6.â€ Mutation Research Letters, vol. 192, no. 1, Sept. 1987, pp. 15â€“22, https://doi.org/10.1016/0165-7992(87)90120-5 Huttner, Angela, et al. â€œNitrofurantoin Revisited: A Systematic Review and Meta-Analysis of Controlled Trials.â€ Journal of Antimicrobial Chemotherapy, vol. 70, no. 9, June 2015, pp. 2456â€“64, https://doi.org/10.1093/jac/dkv147.