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Nitroparacetamol

CAT: 0013-GTR19193339-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193339-03Size:100 mg
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Description
Nitroparacetamol is a nitric oxide-releasing derivative of paracetamol, designed as a potential analgesic agent. It is used in research to study NO-mediated pain pathways and mechanisms, with applications in both in vitro pharmacological assays and in vivo models of nociception.
CAS Number
326850-30-0
Smiles
O (C (CCCON (=O) =O) =O) C1=CC=C (NC (C) =O) C=C1
Molecular Formula
C12H14N2O6
Molecular Weight
282.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ncx-701

Nitroparacetamol (NCX-701) is a newly synthesized nitric oxide-releasing derivative of paracetamol.

CAS Number326850-30-0
PubChem CID6918532
IUPAC Name(4-acetamidophenyl) 4-nitrooxybutanoate
Molecular FormulaC12H14N2O6
Molecular Weight282.25
XLogP0.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC(=O)NC1=CC=C(C=C1)OC(=O)CCCO[N+](=O)[O-]
InChI
InChI=1S/C12H14N2O6/c1-9(15)13-10-4-6-11(7-5-10)20-12(16)3-2-8-19-14(17)18/h4-7H,2-3,8H2,1H3,(H,13,15)
InChIKey
XTMOQAKCOFLCRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ncx-701
CAS: 326850-30-0
CID: 6918532
Formula: C12H14N2O6
MW: 282.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.25
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass282.08518617
Monoisotopic Mass282.08518617
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119348Nitroparacetamol

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