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Home > Nitro Compounds > 7659-29-2
7659-29-2 | 3,5-DINITROCATECHOL
CAS No: 7659-29-2 Catalog No: AG00G2ID MDL No:
Product Description
Catalog Number:
AG00G2ID
Chemical Name:
3,5-DINITROCATECHOL
CAS Number:
7659-29-2
Molecular Formula:
C6H4N2O6
Molecular Weight:
200.1058
IUPAC Name:
3,5-dinitrobenzene-1,2-diol
InChI:
InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H
InChI Key:
VDCDWNDTNSWDFJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])O
UNII:
VK0VA22GY2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.106g/mol
Monoisotopic Mass:
200.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Microdialysis with radiometric monitoring of L-[β-11C]DOPA to assess dopaminergic metabolism: effect of inhibitors of L-amino acid decarboxylase, monoamine oxidase, and catechol-O-methyltransferase on rat striatal dialysate. | Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism 20110101 |
| Inhibitors of catechol-O-methyltransferase sensitize mice to pain. | British journal of pharmacology 20101201 |
| Crystal structures of human 108V and 108M catechol O-methyltransferase. | Journal of molecular biology 20080627 |
| (-)-Epicatechin elevates nitric oxide in endothelial cells via inhibition of NADPH oxidase. | Biochemical and biophysical research communications 20070803 |
| Catechol-O-methyltransferase inhibition increases pain sensitivity through activation of both beta2- and beta3-adrenergic receptors. | Pain 20070401 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Quantitative structure-activity relationships in prooxidant cytotoxicity of polyphenols: role of potential of phenoxyl radical/phenol redox couple. | Archives of biochemistry and biophysics 20050915 |
| Cytochromes 1A1/1B1- and catechol-O-methyltransferase-derived metabolites mediate estradiol-induced antimitogenesis in human cardiac fibroblast. | The Journal of clinical endocrinology and metabolism 20050101 |
| Redox properties of novel antioxidant 5,8-Dihydroxycoumarin: implications for its prooxidant cytotoxicity. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20050101 |
| Catecholamines block the antimitogenic effect of estradiol on human coronary artery smooth muscle cells. | The Journal of clinical endocrinology and metabolism 20040801 |
| Catecholamines block the antimitogenic effect of estradiol on human glomerular mesangial cells. | Hypertension (Dallas, Tex. : 1979) 20030901 |
| Quercetin potentiates L-Dopa reversal of drug-induced catalepsy in rats: possible COMT/MAO inhibition. | Pharmacology 20030601 |
| Molecular modeling and metabolic studies of the interaction of catechol-O-methyltransferase and a new nitrocatechol inhibitor. | Drug metabolism and disposition: the biological fate of chemicals 20030301 |
| Role of adenosine in drug-induced catatonia in mice. | Indian journal of experimental biology 20020801 |
| Quercetin metabolism in the lens: role in inhibition of hydrogen peroxide induced cataract. | Free radical biology & medicine 20020701 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
| Characterization of catechol glucuronidation in rat liver. | Drug metabolism and disposition: the biological fate of chemicals 20020201 |
| COMT-dependent protection of dopaminergic neurons by methionine, dimethionine and S-adenosylmethionine (SAM) against L-dopa toxicity in vitro. | Brain research 20010302 |
| Effects of tolcapone upon soluble and membrane-bound brain and liver catechol-O-methyltransferase. | Brain research 19990306 |
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