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Difurazone

CAS No.:
804-36-4
Catalog Number:
AG00G24G
Molecular Formula:
C14H12N6O6
Molecular Weight:
360.2817
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Product Description
Catalog Number:
AG00G24G
Chemical Name:
Difurazone
CAS Number:
804-36-4
Molecular Formula:
C14H12N6O6
Molecular Weight:
360.2817
MDL Number:
MFCD00242892
IUPAC Name:
2-[[(1E,4E)-1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylidene]amino]guanidine
InChI:
InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)/b3-1+,4-2+
InChI Key:
XQCFHQBGMWUEMY-ZPUQHVIOSA-N
SMILES:
NC(=N)N/N=C(\C=C\c1ccc(o1)[N+](=O)[O-])/C=C/c1ccc(o1)[N+](=O)[O-]
EC Number:
212-358-7
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
360.082g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
360.286g/mol
Monoisotopic Mass:
360.082g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Why are most phospholipidosis inducers also hERG blockers? Archives of toxicology 20171201
Determination of sodium nifurstyrenate and nitrovin residues in edible food by liquid chromatography-tandem mass spectrometry after ultrasound-assisted extraction. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20101215
Identification of a pharmaceutical compound that partially corrects the Niemann-Pick C phenotype in cultured cells. Journal of lipid research 20021001
High-performance liquid chromatographic determination of carbadox, olaquindox, furazolidone, nitrofurazone, and nitrovin in feed. Journal of food protection 20010801
Properties