DNF

2,4-DINITROPHENOL

Created:	2002-02-22
Last modified:	2011-06-04

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8 entries where DNF is found as a standalone ligand2 entries where DNF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

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Chemical Component Summary
Name	2,4-DINITROPHENOL
Systematic Name (OpenEye OEToolkits)	2,4-dinitrophenol
Formula	C₆ H₄ N₂ O₅
Molecular Weight	184.106
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=[N+]([O-])c1cc(ccc1O)[N+]([O-])=O
SMILES	CACTVS	3.341	Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O
InChI	InChI	1.03	InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
InChIKey	InChI	1.03	UFBJCMHMOXMLKC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04528
Name	2,4-Dinitrophenol
Groups	experimental
Description	A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed)
Synonyms	Dinitrophenol 2,4-Dinitrophenol
Categories	Benzene Derivatives Coloring Agents Compounds used in a research, industrial, or household setting Dinitrophenols Enzyme Inhibitors Nitro Compounds Nitrophenols Phenols Uncoupling Agents
CAS number	51-28-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Pentaerythritol tetranitrate reductase	MSAEKLFTPLKVGAVTAPNRVFMAPLTRLRSIEPGDIPTPLMGEYYRQRA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682