Tìm theo
Propidium
Thuốc Gốc
Small Molecule
CAS: 36015-30-2
CTHH: C27H34N4
PTK: 414.5857
Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H34N4
Phân tử khối
414.5857
Monoisotopic mass
414.278347108
InChI
InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
InChI Key
InChIKey=ZDWVWKDAWBGPDN-UHFFFAOYSA-O
IUPAC Name
3,8-diamino-5-{3-[diethyl(methyl)azaniumyl]propyl}-6-phenylphenanthridin-5-ium
Traditional IUPAC Name
propidium
SMILES
CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2
Độ hòa tan
7.13e-07 g/l
logP
-4.6
logS
-8.8
pKa (Strongest Basic)
3.48
PSA
55.92 Å2
Refractivity
145.54 m3·mol-1
Polarizability
49.6 Å3
Rotatable Bond Count
7
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/DB02166
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4939
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506410
ChemSpider
http://www.chemspider.com/Chemical-Structure.4770.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31904
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