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Hydroxymetronidazole (Standard)

CAT: 0804-HY-136440RSize: 1 EachDry Ice: NoHazardous: No
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Description
Hydroxymetronidazole (Standard) is the analytical standard of Hydroxymetronidazole. This product is intended for research and analytical applications. 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[1].
CAS Number
4812-40-2
Product Name Alternative
Metronidazole-OH (Standard)
UNSPSC
12352005
Target
Bacterial; Parasite; Reference Standards
Type
Reference compound
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hydroxymetronidazole-standard.html
Smiles
OCCN1C([N+]([O-])=O)=CN=C1CO
Molecular Formula
C6H9N3O4
Molecular Weight
187.16
References & Citations
[1]Rodrigo H M M Granja, et al. Determination and confirmation of metronidazole, dimetridazole, ronidazole and their metabolites in bovine muscle by LC-MS/MS. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2013;30 (6) :970-6.|[2]Rodrigo H M M Granja, et al. Determination and confirmation of metronidazole, dimetridazole, ronidazole and their metabolites in bovine muscle by LC-MS/MS. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2013;30 (6) :970-6.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Hydroxymetronidazole

Metronidazole-OH is a member of imidazoles and a C-nitro compound.

CAS Number4812-40-2
PubChem CID121858
IUPAC Name2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol
Molecular FormulaC6H9N3O4
Molecular Weight187.15
XLogP-1.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity183
SMILES
C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-]
InChI
InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2
InChIKey
AEHPOYAOLCAMIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxymetronidazole
CAS: 4812-40-2
CID: 121858
Formula: C6H9N3O4
MW: 187.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.15
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass187.05930578
Monoisotopic Mass187.05930578
Topological Polar Surface Area104 Ų
Heavy Atom Count13
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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