Tìm theo
Fominoben
Các tên gọi khác (3) :
  • Fominoben
  • Fominoben hcl
  • PB-89 [as hydrochloride]
Thuốc Gốc
Small Molecule
CAS: 18053-31-1
CTHH: C21H24ClN3O3
PTK: 401.887
Fominoben is an antitussive agent.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H24ClN3O3
Phân tử khối
401.887
Monoisotopic mass
401.150619356
InChI
InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)
InChI Key
InChIKey=KSNNEUZOAFRTDS-UHFFFAOYSA-N
IUPAC Name
N-[3-chloro-2-({methyl[2-(morpholin-4-yl)-2-oxoethyl]amino}methyl)phenyl]benzenecarboximidic acid
Traditional IUPAC Name
N-[3-chloro-2-({methyl[2-(morpholin-4-yl)-2-oxoethyl]amino}methyl)phenyl]benzenecarboximidic acid
SMILES
CN(CC(=O)N1CCOCC1)CC1=C(Cl)C=CC=C1N=C(O)C1=CC=CC=C1
Độ tan chảy
206-208
Độ hòa tan
6.56e-02 g/l
logP
2.95
logS
-3.8
pKa (strongest acidic)
6.84
pKa (Strongest Basic)
5.71
PSA
65.37 Å2
Refractivity
112.47 m3·mol-1
Polarizability
41.4 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08968
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