Tìm theo
Dequadin
Thuốc Gốc
Small Molecule
CTHH: C30H40N4
PTK: 456.6654
A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C30H40N4
Phân tử khối
456.6654
Monoisotopic mass
456.3252973
InChI
InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
InChI Key
InChIKey=PCSWXVJAIHCTMO-UHFFFAOYSA-P
IUPAC Name
4-amino-1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium
Traditional IUPAC Name
dequadin
SMILES
CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2
Độ hòa tan
4.77e-07 g/l
logP
-3.6
logS
-9
pKa (Strongest Basic)
-0.34
PSA
59.8 Å2
Refractivity
147 m3·mol-1
Polarizability
56.76 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
2
Number of Rings
4
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04209
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2993
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507206
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