4-Hydroxy-19-nortestosterone
Thuốc Gốc
Small Molecule
CAS: 4721-69-1
CTHH: C18H26O3
PTK: 290.3972
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
290.3972
Monoisotopic mass
290.188194698
InChI
InChI=1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10?,11-,12-,14+,16+,18+/m1/s1
InChI Key
InChIKey=GXHBCWCMYVTJOW-FHUHANJTSA-N
IUPAC Name
(1S,10R,11S,14S,15S)-6,14-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
Traditional IUPAC Name
(1S,10R,11S,14S,15S)-6,14-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
SMILES
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3CCC(=O)C(O)=C3CC[C@@]21[H]
Độ tan chảy
189 °C
Độ hòa tan
8.83e-02 g/l
logP
2.55
logS
-3.5
pKa (strongest acidic)
9.3
pKa (Strongest Basic)
-0.88
PSA
57.53 Å2
Refractivity
81.92 m3·mol-1
Polarizability
33.26 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
3
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
PubChem Compound
PubChem Substance
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