Tìm theo
(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
Thuốc Gốc
Small Molecule
CTHH: C21H30O4
PTK: 346.4605
An adrenocortical steroid that has modest but significant activities as a mineralocorticoid and a glucocorticoid. (From Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p1437)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H30O4
Phân tử khối
346.4605
Monoisotopic mass
346.214409448
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChI Key
InChIKey=OMFXVFTZEKFJBZ-HJTSIMOOSA-N
IUPAC Name
(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
Traditional IUPAC Name
corticosterone
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO
Độ hòa tan
4.60e-02 g/l
logP
2.02
logS
-3.9
pKa (strongest acidic)
13.86
pKa (Strongest Basic)
-0.26
PSA
74.6 Å2
Refractivity
96 m3·mol-1
Polarizability
38.79 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
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/DB04652
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5753
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504547
ChemSpider
http://www.chemspider.com/Chemical-Structure.5550.html
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