Related Searches: Ornidazole

Ornidazole(CAS No. 16773-42-5)

Ornidazole C7H10ClN3O3 (cas 16773-42-5) Molecular Structure

16773-42-5 Structure

Identification and Related Records

【Name】
Ornidazole
【Iupac name】
1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
【CAS Registry number】
16773-42-5
【Synonyms】
Tiberal
1-Chloro-3-(5-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)-2-propanol
Ornidazol [INN-Spanish]
alpha-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol (9CI)
Madelen
Imidazole-1-ethanol, .alpha.- (chloromethyl)-2-methyl-5-nitro-
Prestwick_584
Ornidazolum [INN-Latin]
1H-Imidazole-1-ethanol, .alpha.-(chloromethyl)-2-methyl-5-nitro-
Ormidazole
S-(-)-ornidazole
【EINECS(EC#)】
240-826-0
【Molecular Formula】
C7H10ClN3O3 (Products with the same molecular formula)
【Molecular Weight】
219.6256
【Inchi】
InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
【InChIKey】
IPWKIXLWTCNBKN-UHFFFAOYSA-N
【Canonical SMILES】
CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
【MOL File】
16773-42-5.mol

Chemical and Physical Properties

【Appearance】
Crystalline Solid
【Density】
1.53 g/cm3
【Melting Point】
85-90℃
【Boiling Point】
443.2 oC at 760 mmHg
【Vapour】
1.23E-08mmHg at 25°C
【Refractive Index】
1.617
【Flash Point】
221.9 oC
【Water】
4330 mg/L at 25 °C in water
【Solubilities】
4330 mg/L at 25 °C in water
【Stability】
Stable at normal temperatures and pressures.
【Computed Properties】
Molecular Weight:219.6256 [g/mol]
Molecular Formula:C7H10ClN3O3
XLogP3:0.6
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:219.041069
MonoIsotopic Mass:219.041069
Topological Polar Surface Area:83.9
Heavy Atom Count:14
Formal Charge:0
Complexity:211
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:12

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R22
【Safety Statements 】
36
【Safety】

Safety Information of Ornidazole (CAS NO.16773-42-5):
Hazard Codes :?HarmfulXn
Risk Statements : 22?
R22:Harmful if swallowed.
Safety Statements : 36?
S36:Wear suitable protective clothing.
WGK Germany : 3
RTECS : NI5460000
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl? and NOx.

【Specification】

?Ornidazole (CAS NO.16773-42-5), its Synonyms are 1-(2-Hydroxy-3-chloropropyl)-2-methyl-5-nitroimidazole ; 1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole ; Madelen ; Ornidazolum ; alpha-(Chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol ; alpha-(Chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol ; 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-5-nitro- ; Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-5-nitro- .

Use and Manufacturing

【Usage】

Anti-infective

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents which are destructive to amebae, especially the parasitic species causing AMEBIASIS in man and animal.
- Agents used to treat trichomonas infections.
- Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

Supplier Location

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