ChemicalBook--->CAS DataBase List--->13182-89-3

13182-89-3

13182-89-3 Structure

13182-89-3 Structure
IdentificationMore
[Name]

Benzoylmetronildazole
[CAS]

13182-89-3
[Synonyms]

2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl benzoate
benzoylmetronildazole
METRONIDAZOLE BENZOATE
benzoylmetronidazole
2-methyl-5-nitro-1H-imidazole-1-ethyl benzoate
MetronidazoleBenzoateMetronidazoleBenzoateBp
METRONIDAZOLEBENZOATE,POWDER
METRONIDAZOLEBENZOATE,POWDER,BP
METRONIDAZOLE BENZOATE(BP2002)
Benzoic acid [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl] ester
[EINECS(EC#)]

236-131-7
[Molecular Formula]

C13H15N3O5
[MDL Number]

MFCD00239523
[Molecular Weight]

293.28
[MOL File]

13182-89-3.mol
Chemical PropertiesBack Directory
[Appearance]

White or slightly yellowish, crystalline powder or flakes.
[Melting point ]

100 °C
[Boiling point ]

487.7±25.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Practically insoluble in water, freely soluble in methylene chloride, soluble in acetone, slightly soluble in alcohol.
[form ]

neat
[pka]

2.44±0.34(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical
pharmaceutical small molecule
[InChI]

InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
[InChIKey]

CUUCCLJJOWSASK-UHFFFAOYSA-N
[SMILES]

N1(CCOC(=O)C2C=CC=CC=2)C(C)=NC=C1[N+]([O-])=O
[CAS DataBase Reference]

13182-89-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2933290000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Imidazole-->Benzoic acid
Hazard InformationBack Directory
[Chemical Properties]

White or slightly yellowish, crystalline powder or flakes.
[Uses]

Anti-infective
[Uses]

Benzoylmetronildazole is a new class of antiglycation agents used to treat diabetes mellitus. Benzoylmetronildazole is also a derivative of Metronidazole (M338880), an antibacterial in the treatment o f rosacea.
[Definition]

ChEBI: A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole.
[Brand name]

Flagyl (Searle); Metrogel (Galderma); Metrogel (3M Pharmaceuticals); Noritate(Sanofi Aventis); Vandazole (Teva).
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoylmetronildazole(13182-89-3)1HNMR
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