Tìm theo
Benoxaprofen
Các tên gọi khác (8 ) :
  • (1)-2-(4-Chlorophenyl)benzoxazole-5-propionic acid
  • 2-(2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl)propanoic acid
  • 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • 2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
  • Benoxaprofene
  • Benoxaprofeno
  • Benoxaprofenum
  • DL-benoxaprofen
anti inflammatory agents non steroidal, dermatologic agents, lipoxygenase inhibitors
Thuốc Gốc
Small Molecule
CAS: 51234-28-7
ATC: M01AE06
CTHH: C16H12ClNO3
PTK: 301.724
The use of benoxaprofen, formerly marketed as Oraflex tablets, was associated with fatal cholestatic jaundice among other serious adverse reactions. The holder of the approved application voluntarily withdrew Oraflex tablets from the market on August 5, 1982.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H12ClNO3
Phân tử khối
301.724
Monoisotopic mass
301.050570962
InChI
InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
InChI Key
InChIKey=MITFXPHMIHQXPI-UHFFFAOYSA-N
IUPAC Name
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Traditional IUPAC Name
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
SMILES
CC(C(O)=O)C1=CC2=C(OC(=N2)C2=CC=C(Cl)C=C2)C=C1
Độ tan chảy
196
Độ hòa tan
3.17e-02 g/l
logP
3.23
logS
-4
pKa (strongest acidic)
4.66
pKa (Strongest Basic)
0.091
PSA
63.33 Å2
Refractivity
88.51 m3·mol-1
Polarizability
31.34 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty : Lilly
    Sản phẩm biệt dược : Coxigon
  • Công ty : Lilly
    Sản phẩm biệt dược : Inflamid
  • Công ty : Lilly
    Sản phẩm biệt dược : Opren
  • Công ty : Lilly
    Sản phẩm biệt dược : Oraflex
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04812
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=39941
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508496
ChemSpider
http://www.chemspider.com/Chemical-Structure.36518.html
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