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Metronidazole benzoate

CAS No.:
13182-89-3
Catalog Number:
AG000ZSD
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$223
- +
10g
98%(HPLC)
In Stock USA
United States
$529
- +
50g
98%(HPLC)
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG000ZSD
Chemical Name:
Metronidazole benzoate
CAS Number:
13182-89-3
Molecular Formula:
C13H13N3O4
Molecular Weight:
275.2600
MDL Number:
MFCD00693654
IUPAC Name:
2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate
InChI:
InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChI Key:
CUUCCLJJOWSASK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCCn1c(C)ncc1[N+](=O)[O-]
EC Number:
236-131-7
UNII:
A355C835XC
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.091g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.264g/mol
Monoisotopic Mass:
275.091g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Determination of five nitroimidazole residues in artificial porcine muscle tissue samples by capillary electrophoresis. Talanta 20120115
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Effects of anti-protozoal drugs and histopathological studies on trypanosome species. FEMS immunology and medical microbiology 20010201
Properties