Tìm theo
Ethylestrenol
Thuốc Gốc
Small Molecule
CAS: 965-90-2
ATC: A14AB02
CTHH: C20H32O
PTK: 288.4675
An anabolic steroid with some progestational activity and little androgenic effect. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H32O
Phân tử khối
288.4675
Monoisotopic mass
288.245315646
InChI
InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChI Key
InChIKey=AOXRBFRFYPMWLR-XGXHKTLJSA-N
IUPAC Name
(1S,2R,10R,11S,14S,15S)-14-ethyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-ol
Traditional IUPAC Name
ethylestrenol
SMILES
[H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
Độ tan chảy
about 50
Độ hòa tan
8.60e-04 g/l
logP
4.69
logS
-5.5
pKa (Strongest Basic)
-0.27
PSA
20.23 Å2
Refractivity
88.5 m3·mol-1
Polarizability
35.94 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
1
H Bond Donor Count
1
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/DB01493
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=13765
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505460
ChemSpider
http://www.chemspider.com/Chemical-Structure.13168.html
PharmGKB
http://www.pharmgkb.org/drug/PA449539
Wikipedia
http://en.wikipedia.org/wiki/Ethylestrenol
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