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| CAS No.: | 23696-28-8 |
|---|---|
| Name: | 2-Quinoxalinecarboxamide,N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C12H13N3O4 |
| Molecular Weight: | 263.253 |
| Synonyms: | 2-(N-(2-Hydroxyethyl)karbamoyl)-3-methylchinoxalin-1,4-dioxid;N-(2-Hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide 1,4-dioxide;BRN 0758489; |
| EINECS: | 245-832-7 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 209 °C (dec.) |
| Boiling Point: | 343.3oC |
| Flash Point: | >204.4oC |
| Solubility: | soluble in hot water, slightly soluble in cold water |
| Appearance: | Pale yellow crystalline solid |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22-43 |
| Safety: | 36/37 |
| Transport Information: | N/A |
| PSA: | 100.25000 |
| LogP: | 1.11820 |
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The IUPAC name of thsi chemical is N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide. With the CAS registry number 23696-28-8, it is also named as Olaquindox. The product's categories are food and feed additive; nitric oxide reagents; intermediates & fine chemicals; pharmaceuticals. It is pale yellow crystalline solid which is soluble in hot water, slightly soluble in cold water, almost insoluble in methanol, ethanol and chloroform.
The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1.52; (4)ACD/KOC (pH 7.4): 1.52; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 66.93 cm3; (9)Molar Volume: 183.3 cm3; (10)Polarizability: 26.53 10-24cm3; (11)Surface Tension: 60.4 dyne/cm; (12)Rotatable Bond Count: 3; (13)Tautomer Count: 2; (14)Exact Mass: 263.090606; (15)MonoIsotopic Mass: 263.090606; (16)Topological Polar Surface Area: 95.7; (17)Heavy Atom Count: 19; (18)Formal Charge: 0; (19)Complexity: 421.
Preparation of N-(2-Hydroxyethyl)-3-methyl-2-quinox-alinecarboxamide 1,4-dioxide: First, o-nitroaniline reacts with sodium hypochlorite, and then reacts with diketene and ethanolamine to get the product.
Uses of N-(2-Hydroxyethyl)-3-methyl-2-quinox-alinecarboxamide 1,4-dioxide: It is used as broad-spectrum antibacterial drugs against Gram-positive bacteria and gram-negative bacteria in the large number of bacteria-ming, a sense of right pathogenic hemolytic Escherichia coli, Proteus vulgaris, salmonella, selective inhibition of swine dysentery has an excellent efficacy. 2-bromomethyl-3-[N-(2-hydroxyethyl)carbamoyl]quinoxaline 1,4-oxide can be obtained by N-(2-Hydroxyethyl)-3-methyl-2-quinox-alinecarboxamide 1,4-dioxide. This reaction needs reagent bromine and solvent CH2Cl2 and dimethylformamide by heating. The reaction time is 5 hours. The yield is 80%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it may cause sensitization by skin contact. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:O=[N+]\2c1c(cccc1)N([O-])/C(=C/2C(=O)NCCO)C
2. InChI:InChI=1/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 3316mg/kg (3316mg/kg) | Cesko-Slovenska Farmacie. Vol. 30, Pg. 26, 1981. | |
| rat | LD50 | oral | 1717mg/kg (1717mg/kg) | Cesko-Slovenska Farmacie. Vol. 30, Pg. 26, 1981. |
