Moxnidazole - ≥95% , CAS No.52279-59-1

CAS: 52279-59-1 Cat. No.: M961529 Peso molecular: 338.320

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CN1C(=CN=C1/C=N/N2CC(OC2=O)CN3CCOCC3)[N+](=O)[O-]
• IUPAC Name: 3-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
• InChIKey: RILWUTQZRXWBOB-GIDUJCDVSA-N
• INCHI: 1S/C13H18N6O5/c1-16-11(14-7-12(16)19(21)22)6-15-18-9-10(24-13(18)20)8-17-2-4-23-5-3-17/h6-7,10H,2-5,8-9H2,1H3/b15-6+
• Peso molecular: 338.320

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Nitroimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Nitroimidazoles
• Alternative Parents: 1,2,5-trisubstituted imidazoles Nitroaromatic compounds Morpholines Oxazolidinones N-substituted imidazoles Heteroaromatic compounds Organic carbonic acids and derivatives Trialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - Morpholine - N-substituted imidazole - Oxazinane - Oxazolidinone - Heteroaromatic compound - Oxazolidine - C-nitro compound - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Organic oxoazanium - Ether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 338.320 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 338.134 Da
• Monoisotopic Mass: 338.134 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 506.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1