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Dinitolmide - 10mM in DMSO, high purity , CAS No.148-01-6
Cas Number: 148-01-6
Molecular Weight: 225.16
PubChem CID:
3092
Broad-spectrum anticoccidial agent
Basic Description
Synonyms
dinitolmide | 2-Methyl-3,5-dinitrobenzamide | 148-01-6 | Zoalene | 3,5-Dinitro-o-toluamide | Zoamix | Coccidine A | Coccidot | Benzamide, 2-methyl-3,5-dinitro- | Dinitolmida | Dinitrotoluamide | Zoalene [ANSI] | Methyldinitrobenzamide | Dinitolmidum | Salcostat | Dinitolmide [INN:BAN]
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Broad-spectrum anticoccidial agent. Prevents 7 strains of Eimeria coccidium in vivo. Orally active.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Product Describtion:
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Nitrotoluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
o-Toluamides Nitrobenzenes Benzamides Nitroaromatic compounds Benzoyl derivatives Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrotoluene - Benzamide - Benzoic acid or derivatives - Nitrobenzene - O-toluamide - Toluamide - Nitroaromatic compound - Benzoyl - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-methyl-3,5-dinitrobenzamide
INCHI
InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChIKey
ZEFNOZRLAWVAQF-UHFFFAOYSA-N
Smiles
CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N
Isomeric SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N
Molecular Weight
225.16
Reaxy-Rn
1990738
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990738&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
170-180 °C (lit.)
Molecular Weight
225.160 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
225.039 Da
Monoisotopic Mass
225.039 Da
Topological Polar Surface Area
135.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
321.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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