Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	146096
Common Name:	Phenazopyridine
Systematic Name:	3-[(E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine
RefMet Name:	Phenazopyridine
Synonyms:	2,6-Diamino-3-(phenylazo)pyridine; 2,6-Diamino-3-phenylazopyridine; 3-(Phenylazo)-2,6-pyridinediamine; Fenazopiridina; Phénazopyridine; Phenazopyridine; Phenazopyridinum [PubChem Synonyms]
Exact Mass:	213.1014 (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:	C11H11N5
InChIKey:	QPFYXYFORQJZEC-FOCLMDBBSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyridines and derivatives [C0000089]
ClassyFire subclass:	Aminopyridines and derivatives [C0000283]
Massbank MS spectra:	View MS spectra
SMILES:	c1ccc(cc1)/N=N/c1ccc(N)nc1N
Studies:	Available studies (via RefMet name)

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Calculated physicochemical properties:

No data available

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