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Hydroxy Metronidazole

CAT: 1459-CS-O-10348Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-10348Size:1 Each
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Description
Hydroxy Metronidazole is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Metronidazole. The product is supplied by Clearsynth under CAT No. CS-O-10348. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
A metabolite of Metronidazole
CAS Number
4812-40-2
Synonyms
Hydroxy Metronidazole
Molecular Formula
C 6 H 9 N 3 O 4
Molecular Weight
187.15
Additionnal Information
Hydroxy Metronidazole is supplied with detailed characterization data compliant with regulatory guideline. Hydroxy Metronidazole can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Metronidazole.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
A metabolite of Metronidazole
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

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
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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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