Beta-hydroxy-3-methylfentanyl
Thuốc Gốc
Small Molecule
CAS: 78995-14-9
CTHH: C23H30N2O2
PTK: 366.4965
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
366.4965
Monoisotopic mass
366.230728214
InChI
InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3
InChI Key
InChIKey=FRPRNNRJTCONEC-UHFFFAOYSA-N
IUPAC Name
N-[1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide
Traditional IUPAC Name
N-[1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide
SMILES
CCC(=O)N(C1CCN(CC(O)C2=CC=CC=C2)CC1C)C1=CC=CC=C1
Độ hòa tan
8.65e-02 g/l
logP
3.38
logS
-3.6
pKa (strongest acidic)
14.11
pKa (Strongest Basic)
8.59
PSA
43.78 Å2
Refractivity
109.11 m3·mol-1
Polarizability
41.14 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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