Tìm theo
NCX 701
Thuốc Gốc
Small Molecule
CTHH: C12H14N2O6
PTK: 282.2494
Nitroparacetamol (NCX-701) is a newly synthesized nitric oxide-releasing derivative of paracetamol.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H14N2O6
Phân tử khối
282.2494
Monoisotopic mass
282.08518619
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)
InChI Key
InChIKey=XTMOQAKCOFLCRZ-UHFFFAOYSA-N
IUPAC Name
4-acetamidophenyl 4-(nitrooxy)butanoate
Traditional IUPAC Name
4-acetamidophenyl 4-(nitrooxy)butanoate
SMILES
CC(=O)NC1=CC=C(OC(=O)CCCO[N+]([O-])=O)C=C1
Độ hòa tan
4.68e-02 g/l
logP
1.45
logS
-3.8
pKa (strongest acidic)
14.68
pKa (Strongest Basic)
-4.4
PSA
110.45 Å2
Refractivity
69.9 m3·mol-1
Polarizability
27.24 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : Nitroparacetamol (NCX-701) is a newly synthesized nitric oxide-releasing derivative of paracetamol. NCX-701 (nitroparacetamol) is a NO-releasing derivative of paracetamol (acetaminophen) that has shown potent antinociceptive and anti-inflammatory properties. NCX-701 induces a potent antinociceptive effect by a mechanism different from and complementary to that of paracetamol, and its action is mainly located within the spinal cord in monoarthritic animals.
Chỉ Định : Investigated for use/treatment in pain (acute or chronic).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05409
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6918532
ChemSpider
http://www.chemspider.com/Chemical-Structure.5293729.html
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