(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTAN
Thuốc Gốc
Small Molecule
CTHH: C24H30NO
PTK: 348.5011
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H30NO
Phân tử khối
348.5011
Monoisotopic mass
348.232739587
InChI
InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21-
InChI Key
InChIKey=BADPXOSJBUEVTR-WKCHPHFGSA-N
IUPAC Name
(1R,3R,5S)-8,8-dimethyl-3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yloxy}-8-azabicyclo[3.2.1]octan-8-ium
Traditional IUPAC Name
(1R,3R,5S)-8,8-dimethyl-3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yloxy}-8-azabicyclo[3.2.1]octan-8-ium
SMILES
[H][C@]12CC[C@]([H])(C[C@]([H])(C1)OC1C3=CC=CC=C3CCC3=C1C=CC=C3)[N+]2(C)C
Độ hòa tan
2.76e-06 g/l
logP
0.59
logS
-8.1
pKa (Strongest Basic)
-4.2
PSA
9.23 Å2
Refractivity
118.43 m3·mol-1
Polarizability
41 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
1
H Bond Donor Count
0
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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