Hydroxy ipronidazole , CAS No.35175-14-5

CAS: 35175-14-5 Cat. No.: H1436010 Molecular Weight: 188.2 EC Number: 995-850-0 PubChem CID: 598402

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Hydroxy ipronidazole (Ipronidazole-OH) is a metabolite of nitroimidazole antibiotics , such as ipronidazole (IPZ). Hydroxy ipronidazole may has similar mutagenic potential as the parent compound.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)(C1=NC=C(N1C)[N+](=O)[O-])O
• IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)propan-2-ol
• InChIKey: DTHPMNDYKOSVFR-UHFFFAOYSA-N
• INCHI: 1S/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3
• Isomeric SMILES: CC(C)(C1=NC=C(N1C)[N+](=O)[O-])O
• PubChem CID: 598402
• Molecular Weight: 188.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Nitroimidazoles
• Alternative Parents: Nitroaromatic compounds 1,2,5-trisubstituted imidazoles N-substituted imidazoles Tertiary alcohols Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen 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 - Tertiary alcohol - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic alcohol - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: 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