Tìm theo
Indoprofen
Thuốc Gốc
Small Molecule
CAS: 31842-01-0
CTHH: C17H15NO3
PTK: 281.3059
A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H15NO3
Phân tử khối
281.3059
Monoisotopic mass
281.105193351
InChI
InChI=1/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
InChI Key
InChIKey=RJMIEHBSYVWVIN-UHFFFAOYNA-N
IUPAC Name
2-[4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid
Traditional IUPAC Name
indoprofen
SMILES
CC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O
Độ tan chảy
208-210
Độ hòa tan
1.28e-01 g/l
logP
2.86
logS
-3.3
pKa (strongest acidic)
3.74
pKa (Strongest Basic)
-3.5
PSA
57.61 Å2
Refractivity
79.14 m3·mol-1
Polarizability
30.24 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
Dược Động Học :

▧ Metabolism :
Glucuronidation.
▧ Half Life :
2.3 hours.
▧ Clearance :
Renal.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08951
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D04530
Wikipedia
http://en.wikipedia.org/wiki/Indoprofen
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