Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67469
Common Name:	MECLOFENAMATE SODIUM
Systematic Name:	sodium;2-(2,6-dichloro-3-methyl-anilino)benzoate
Synonyms:	Meclomen; Sodium meclofenamate; Meclonax; Meclofenamic acid sodium; Movens [PubChem Synonyms]
Exact Mass:	316.9986 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C14H10Cl2NNaO2
InChIKey:	OGPIIGMUPMPMNT-UHFFFAOYSA-M
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Benzoic acids and derivatives [C0000176]
ClassyFire direct parent:	Aminobenzoic acids [C0002948]
SMILES:	Cc1ccc(c(c1Cl)Nc1ccccc1C(=O)[O-])Cl.[Na+]
Studies:	-

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PubChem CID:	4038
KEGG ID:	C02996

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y