Tìm theo
Oxeladin
Các tên gọi khác (4 ) :
  • 2-(2-Diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate
  • Oxeladina
  • Oxeladine
  • Oxeladinum
antitussive agents
Thuốc Gốc
Small Molecule
CAS: 468-61-1
ATC: R05DB09
CTHH: C20H33NO3
PTK: 335.4809
Withdrawn from the Canadian, US, and UK markets in 1976 due to carcinogenicity.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H33NO3
Phân tử khối
335.4809
Monoisotopic mass
335.246043927
InChI
InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3
InChI Key
InChIKey=IQADUMSPOQKAAO-UHFFFAOYSA-N
IUPAC Name
2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
Traditional IUPAC Name
oxeladin
SMILES
CCN(CC)CCOCCOC(=O)C(CC)(CC)C1=CC=CC=C1
Độ tan chảy
< 25 °C
Độ sôi
150 °C at 5.00E-01 mm Hg
Độ hòa tan
1.58e-02 g/l
logP
4.43
logS
-4.3
pKa (Strongest Basic)
9.41
PSA
38.77 Å2
Refractivity
98.97 m3·mol-1
Polarizability
39.35 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04822
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4619
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508573
ChemSpider
http://www.chemspider.com/Chemical-Structure.4458.html
Wikipedia
http://en.wikipedia.org/wiki/Oxeladin
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