Ornidazole - ≥98% , Produces reactive intermediates, CAS No.16773-42-5, Produces reactive intermediates

CAS: 16773-42-5 Cat. No.: O129376 Fórmula: C₇H₁₀ClN₃O₃ Peso molecular: 219.63 Número EC: 240-826-0

GRADE & PURITY ≥98%

Synonyms

MFCD00057960 | NCGC00016723-01 | BSPBio_000027 | HMS1568B09 | CAS-16773-42-5 | EN300-6731079 | HMS2051D22 | .alpha.-(Chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol | alpha-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol | HMS3712B09 | Imidazole-

Storage

Room temperature

Shipped In

Normal

Descripción general

Ornidazole is a 5-nitroimidazole derivative with antiprotozoal and antibacterial properties against anaerobic bacteria.
An anti-infective for protozoan infections

Specifications

Sinónimos

MFCD00057960 | NCGC00016723-01 | BSPBio_000027 | HMS1568B09 | CAS-16773-42-5 | EN300-6731079 | HMS2051D22 | .alpha.-(Chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol | alpha-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol | HMS3712B09 | Imidazole-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Ornidazole is an anti-infective; used to to treat selected protozoan infections

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Mecanismo de acción

Produces reactive intermediates

Pureza

≥98%

Propiedades del producto

ALogP

0.6

Nombres e identificadores

Pubchem Sid

488183070

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183070

Sonrisas canónicas

CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]

IUPAC Name

1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

InChIKey

IPWKIXLWTCNBKN-UHFFFAOYSA-N

INCHI

1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3

Isómeros SMILES

CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]

WGK Alemania

3

RTECS

NI5460000

Peso molecular

219.63

Reaxy-Rn

614299

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=614299&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Nitroimidazoles
• Alternative Parents: 1,2,5-trisubstituted imidazoles Nitroaromatic compounds N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Chlorohydrins Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Alkyl chlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - N-substituted imidazole - Heteroaromatic compound - Chlorohydrin - Halohydrin - C-nitro compound - Secondary alcohol - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organopnictogen compound - Alkyl chloride - Organic oxygen compound - Alcohol - Organic nitrogen compound - Alkyl halide - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
• Descripción: 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: C-nitro compound - secondary alcohol - imidazoles - organochlorine compound

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

Objetivos asociados (humanos)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Bacteroides fragilis (1445 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Entamoeba histolytica (2676 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Giardia intestinalis (1290 Activities)

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Rattus norvegicus (775804 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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Trichophyton tonsurans (138 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Giardia (1682 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Chloroform and Methanol
• Punto de fusión (°C): 92 °C
• Peso molecular: 219.620 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.041 Da
• Monoisotopic Mass: 219.041 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16773-42-5, the molecular formula is C7H10ClN3O3, and the molecular weight is 219.63 g/mol. InChIKey IPWKIXLWTCNBKN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.