Name: Name:3-(3,4-Dihydroxy-5-nitrobenzylidene)pentane-2,4-dione
Brand: Angene
SKU: AG000C73
Rating: 90 (10 reviews)

3-(3,4-Dihydroxy-5-nitrobenzylidene)pentane-2,4-dione

CAS No.:

116313-94-1

Catalog Number:

AG000C73

Molecular Formula:

C12H11NO6

Molecular Weight:

265.2188

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

≥98%

1 week

United States

$139

- +

10mg

≥98%

1 week

United States

$212

- +

25mg

≥98%

1 week

United States

$385

- +

Product Description

Catalog Number:

AG000C73

Chemical Name:

3-(3,4-Dihydroxy-5-nitrobenzylidene)pentane-2,4-dione

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.221g/mol

Monoisotopic Mass:

265.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties