Tìm theo
Ticrynafen
Các tên gọi khác (11 ) :
  • (2,3-Dichloro-4-(2-thenoyl)phenoxy)acetic acid
  • (2,3-Dichloro-4-(2-thienylcarbonyl)phenoxy)acetic acid
  • (2,3-Dichloro-4-(2-thiophenecarbonyl)phenoxy)acetic acid
  • 4-(2-Theonyl)-2,3-dichlorphenoxyessigsaeure
  • 4-(2-Thienylketo)-2,3-dichlorophenoxyacetic acid
  • Acide tienilique
  • Acido tienilico
  • Acidum tienilicum
  • Thienylic acid
  • Tienilic acid
  • Tienilico acido
antihypertensive agents, diuretics, uricosuric agents
Thuốc Gốc
Small Molecule
CAS: 40180-04-9
ATC: C03CC02
CTHH: C13H8Cl2O4S
PTK: 331.171
Ticrynafen, or tienilic acid, is a diuretic drug with uric acid-lowering (uricosuric) action, formerly marketed for the treatment of hypertension. It was withdrawn in 1982, shortly after its introduction to the market, after case reports in the United States indicated a link between the use of ticrynafen and hepatitis. (Manier et al., 1982)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H8Cl2O4S
Phân tử khối
331.171
Monoisotopic mass
329.952034848
InChI
InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)
InChI Key
InChIKey=AGHANLSBXUWXTB-UHFFFAOYSA-N
IUPAC Name
2-{2,3-dichloro-4-[(thiophen-2-yl)carbonyl]phenoxy}acetic acid
Traditional IUPAC Name
ticrynafen
SMILES
OC(=O)COC1=C(Cl)C(Cl)=C(C=C1)C(=O)C1=CC=CS1
Độ tan chảy
149 °C
Độ hòa tan
2.54e-03 g/l
logP
3.87
logS
-5.1
pKa (strongest acidic)
3.22
pKa (Strongest Basic)
-5
PSA
63.6 Å2
Refractivity
75.68 m3·mol-1
Polarizability
30.45 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Chỉ Định : For the treatment of hypertension.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Diflurex
  • Công ty :
    Sản phẩm biệt dược : Selacryn
  • Công ty :
    Sản phẩm biệt dược : Ticrex
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04831
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=38409
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505485
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11702
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D02386
ChemSpider
http://www.chemspider.com/Chemical-Structure.35204.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50090674
Wikipedia
http://en.wikipedia.org/wiki/Ticrynafen
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