Tìm theo
Aetiocholanolone
Thuốc Gốc
Small Molecule
CAS: 53-42-9
CTHH: C19H30O2
PTK: 290.4403
The 5-beta-reduced isomer of androsterone. Etiocholanolone is a major metabolite of testosterone and androstenedione in many mammalian species including humans. It is excreted in the urine. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H30O2
Phân tử khối
290.4403
Monoisotopic mass
290.224580204
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChI Key
InChIKey=QGXBDMJGAMFCBF-BNSUEQOYSA-N
IUPAC Name
(1S,2S,5R,7R,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one
Traditional IUPAC Name
etiocholanolone
SMILES
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C
Độ hòa tan
6.34e-03 g/l
logP
3.77
logS
-4.7
pKa (strongest acidic)
18.3
pKa (Strongest Basic)
-1.4
PSA
37.3 Å2
Refractivity
83.81 m3·mol-1
Polarizability
34.36 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
2
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/DB02854
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5880
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507911
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C04373
ChemSpider
http://www.chemspider.com/Chemical-Structure.5669.html
... loading
... loading