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Hydroxymetronidazole

CAT: 0013-GTR19257499Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257499Size:5 mg
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Description
Hydroxymetronidazole (Metronidazole-OH) is a nitroimidazole compound and metabolite of Metronidazole, commonly used in poultry research for bacterial and protozoal diseases, and in studies of swine dysentery and genital trichomoniasis in cattle.
CAS Number
4812-40-2
Field of Research
Infectious Disease & Virology
Smiles
OCCn1c (CO) ncc1[N+] ([O-]) =O
Molecular Formula
C6H9N3O4
Molecular Weight
187.15
Storage Conditions
-20°C
Notes
For research use only.

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

Alternative Products

CatalogName
MBS5800794-01Hydroxymetronidazole
HY-136440SHydroxymetronidazole-d4
HY-136440S1Hydroxymetronidazole-d2
HY-136440RHydroxymetronidazole (Standard)

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