Tìm theo
Ethyl biscoumacetate
Các tên gọi khác (2) :
  • Pelentan
  • Tromexan
Thuốc tác dụng lên quá trình đông máu
Thuốc Gốc
Small Molecule
CAS: 548-00-5
ATC: B01AA08
CTHH: C22H16O8
PTK: 408.3576
Ethyl biscoumacetate is a courmarin that is used as an anticoagulant. It has actions similar to those of Warfarin. (From Martindale, The Extra Pharmacopoeia, 30th ed, p226)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H16O8
Phân tử khối
408.3576
Monoisotopic mass
408.084517488
InChI
InChI=1S/C22H16O8/c1-2-28-20(25)15(16-18(23)11-7-3-5-9-13(11)29-21(16)26)17-19(24)12-8-4-6-10-14(12)30-22(17)27/h3-10,15,26-27H,2H2,1H3
InChI Key
InChIKey=SEGSDVUVOWIWFX-UHFFFAOYSA-N
IUPAC Name
ethyl 2,2-bis(2-hydroxy-4-oxo-4H-chromen-3-yl)acetate
Traditional IUPAC Name
ethyl 2,2-bis(2-hydroxy-4-oxochromen-3-yl)acetate
SMILES
CCOC(=O)C(C1=C(O)OC2=CC=CC=C2C1=O)C1=C(O)OC2=CC=CC=C2C1=O
Độ tan chảy
153-154
Độ hòa tan
153 mg/L (at 20 °C)
logP
3.22
logS
-3.7
pKa (strongest acidic)
7.13
pKa (Strongest Basic)
-5.2
PSA
119.36 Å2
Refractivity
123.2 m3·mol-1
Polarizability
39.96 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08794
ChemSpider
http://www.chemspider.com/Chemical-Structure.10579.html
Wikipedia
http://en.wikipedia.org/wiki/Ethyl_biscoumacetate
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