200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 116313-94-1
116313-94-1 | 2,4-Pentanedione, 3-[(3,4-dihydroxy-5-nitrophenyl)methylene]-
CAS No: 116313-94-1 Catalog No: AG000C73 MDL No:MFCD00866318
Product Description
Catalog Number:
AG000C73
Chemical Name:
2,4-Pentanedione, 3-[(3,4-dihydroxy-5-nitrophenyl)methylene]-
CAS Number:
116313-94-1
Molecular Formula:
C12H11NO6
Molecular Weight:
265.2188
MDL Number:
MFCD00866318
IUPAC Name:
3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
InChI:
InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3
InChI Key:
UPMRZALMHVUCIN-UHFFFAOYSA-N
SMILES:
CC(=O)C(=Cc1cc(O)c(c(c1)[N+](=O)[O-])O)C(=O)C
UNII:
98BS722498
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.221g/mol
Monoisotopic Mass:
265.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Nitecapone reduces development and symptoms of neuropathic pain after spinal nerve ligation in rats. | European journal of pain (London, England) 20110801 |
| Inhibitors of catechol-O-methyltransferase sensitize mice to pain. | British journal of pharmacology 20101201 |
| Novel screening assay for antioxidant protection against peroxyl radical-induced loss of protein function. | Journal of pharmaceutical sciences 20071101 |
| Dopamine is metabolised by different enzymes along the rat nephron. | Pflugers Archiv : European journal of physiology 20050601 |
| Nitecapone and selegiline as effective adjuncts to L-DOPA in reserpine-induced catatonia in mice. | Methods and findings in experimental and clinical pharmacology 20020101 |
| D1-like dopamine receptor activation and natriuresis by nitrocatechol COMT inhibitors. | Kidney international 20010501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.