Metronidazole-OH - Moligand™,≥97% , CAS No.4812-40-2

CAS: 4812-40-2 Cat. No.: M114332 Peso molecular: 187.15 Número EC: 641-568-5

GRADE & PURITY Moligand™, ≥97%

Synonyms

2-[2-(hydroxymethyl)-5-nitro-imidazol-1-yl]ethanol | 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol | Hydroxy Metronidazole | Imidazole-1-ethanol, 2-hydroxymethyl-5-nitro- | SCHEMBL10920908 | 1-(2-Hydroxyethyl)-2-(hydroxymethyl)-5-nitroimidazole | DTXS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Hydroxymetronidazole (Metronidazole-OH) is a metabolite of Metronidazole belonging to the class of nitroimidazoles. Hydroxymetronidazole can be used for the research of certain bacterial and protozoal diseases in poultry, swine dysentery and genital trichomoniasis in cattle.

Specifications

Sinónimos

2-[2-(hydroxymethyl)-5-nitro-imidazol-1-yl]ethanol | 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol | Hydroxy Metronidazole | Imidazole-1-ethanol, 2-hydroxymethyl-5-nitro- | SCHEMBL10920908 | 1-(2-Hydroxyethyl)-2-(hydroxymethyl)-5-nitroimidazole | DTXS

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-]
• IUPAC Name: 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol
• InChIKey: AEHPOYAOLCAMIU-UHFFFAOYSA-N
• INCHI: 1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2
• Isómeros SMILES: C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-]
• Peso molecular: 187.15
• Reaxy-Rn: 883934
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=883934&ln=

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: Nitroaromatic compounds 1,2,5-trisubstituted imidazoles N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - N-substituted imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Alkanolamine - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Aromatic alcohol - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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: 187.150 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 187.059 Da
• Monoisotopic Mass: 187.059 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 183.000
• 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