Tìm theo
Flufenamic Acid
Thuốc Gốc
Small Molecule
CAS: 530-78-9
ATC: M01AG03
CTHH: C14H10F3NO2
PTK: 281.2299
An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H10F3NO2
Phân tử khối
281.2299
Monoisotopic mass
281.066363184
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
InChI Key
InChIKey=LPEPZBJOKDYZAD-UHFFFAOYSA-N
IUPAC Name
2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
Traditional IUPAC Name
flufenamic acid
SMILES
OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F
Độ tan chảy
133.5 °C
Độ hòa tan
9.09 mg/L (at 25 °C)
logP
5.25
logS
-4.5
pKa (strongest acidic)
3.88
pKa (Strongest Basic)
-2.1
PSA
49.33 Å2
Refractivity
67.77 m3·mol-1
Polarizability
24.67 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02266
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3371
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507173
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C13038
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D01581
ChemSpider
http://www.chemspider.com/Chemical-Structure.3254.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17636
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