IUPAC Name: N-(2-Hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
Synonyms of N-(2-Hydroxyethyl)-2-nitro-1H-imidazole-1-acetamide (CAS NO.22668-01-5): 1H-Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro- ; Etanidazol ; Etanidazolum ; Ethanidazole ; N-(2-Hydroxyethyl)-1-(2-nitro-1-imidazolyl)acetamide ; N-(2-Hydroxyethyl)-2-nitroimidazole-1-acetamide ; Radinyl
InChI: InChI=1/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)
InChIKey: WCDWBPCFGJXFJZ-UHFFFAOYAI
Std. InChI: InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)
Std. InChIKey: WCDWBPCFGJXFJZ-UHFFFAOYSA-N
CAS NO:22668-01-5
Molecular Formula: C7H10N4O4
Molecular Weight: 214.1787
Molecular Structure :
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 93.18 Å2
Index of Refraction: 1.645
Molar Refractivity: 49.68 cm3
Molar Volume: 136.9 cm3
Surface Tension: 72.9 dyne/cm
Density: 1.56 g/cm3
Storage temp: Keep N-(2-Hydroxyethyl)-2-nitro-1H-imidazole-1-acetamide (CAS NO.22668-01-5) at 2-8°C .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | unreported | 4900mg/kg (4900mg/kg) | Gan to Kagaku Ryoho. Cancer and Chemotherapy. Vol. 16, Pg. 1399, 1989. | |
mouse | LD50 | intraperitoneal | 3300mg/kg (3300mg/kg) | Radiation Research. Vol. 91, Pg. 186, 1982. | |
mouse | LD50 | intravenous | 4100mg/kg (4100mg/kg) | Japanese Journal of Cancer Research. Vol. 80, Pg. 113, 1989. | |
mouse | LD50 | unreported | 4900mg/kg (4900mg/kg) | United States Patent Document. Vol. 4371540, | |
rat | LD50 | intravenous | 3716mg/kg (3716mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) MUSCULOSKELETAL: OTHER CHANGES | Toxicologist. Vol |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: N-(2-Hydroxyethyl)-2-nitro-1H-imidazole-1-acetamide (CAS NO.22668-01-5) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: NI3355000
Moderately toxic by intravenous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
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