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| CAS No.: | 965-52-6 |
|---|---|
| Name: | Nifuroxazide |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C12H9N3O5 |
| Molecular Weight: | 275.221 |
| Synonyms: | Benzoicacid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide (9CI);Benzoic acid,p-hydroxy-, (5-nitrofurfurylidene)hydrazide (7CI,8CI);(5-Nitro-2-furfurylidene)(4-hydroxybenzoyl)hydrazine;1-(p-Hydroxybenzoyl)-2-(5-nitrofurfurylidene)hydrazine;27-109RC;5-Nitro-2-furaldehyde p-hydroxybenzoylhydrazone;5-Nitro-2-furfurylidene-4-hydroxybenzhydrazide;Adral;Antinal;Bacifurane;Diarlidan;Dicoferin;Enterofuril;Ercefurol;Ercefuryl;Nifuroxazid;Nifuroxazide;Pentofuryl;RC 27109;RC 30-109;p-Hydroxybenzoic acid(5-nitrofurfurylidene)hydrazide; |
| EINECS: | 213-522-0 |
| Density: | 1.49 g/cm3 |
| Melting Point: | 281-283°C |
| Boiling Point: | 418.17°C (rough estimate) |
| Appearance: | Yellow solid |
| PSA: | 120.65000 |
| LogP: | 2.57140 |
| Conditions | Yield |
|---|---|
| In ethanol; water Heating; | 80% |
| Stage #1: 4-hydroxybenzoic acid hydrazide With acetic acid In water for 0.0833333h; Sonication; Stage #2: 5-nitrofurane-2-carboxaldehyde In dimethyl sulfoxide at 20℃; for 0.5h; Sonication; | 65% |
nifuroxazide
A
4-Hydroxy-benzoic acid [4-cyano-2-oxo-but-(E)-ylidene]-hydrazide
B
4-Hydroxy-benzoic acid [1-(5-amino-furan-2-yl)-meth-(E)-ylidene]-hydrazide
| Conditions | Yield |
|---|---|
| In methanol; water at 30℃; electrolysis; | A 5% B 35% |
| In 2-methoxy-ethanol; water at 30℃; electrolysis; | A 25% B n/a |
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The Nifuroxazide, with the CAS registry number 965-52-6,is also known as p-Hydroxybenzoic acid (5-nitrofurfurylidene) hydrazide. It belongs to the product categories of Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C12H9N3O5 and molecular weight is 275.22.Its EINECS number is 213-522-0.What's more,Its systematic name is Nifuroxazide.It is a yellow solid which is used as intestinal antiseptic.It is poison by intraperitoneal route.And mildly toxic by ingestion.When heated to decomposition it emits toxic fumes of NOx.
Physical properties about Nifuroxazide are:
(1)ACD/LogP: 1.824; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 14.28; (6)ACD/BCF (pH 7.4): 11.74; (7)ACD/KOC (pH 5.5): 233.27; (8)ACD/KOC (pH 7.4): 191.72; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 67.611 cm3; (14)Molar Volume: 184.659 cm3; (15)Surface Tension: 64.6230010986328 dyne/cm; (16)Density: 1.49 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES:O=[N+]([O-])c2oc(C=NNC(=O)c1ccc(O)cc1)cc2;
(2)Std. InChI:InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17);
(3)Std. InChIKey:YCWSUKQGVSGXJO-UHFFFAOYSA-N.
The toxicity data of Nifuroxazide are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | Journal of Pharmacy and Pharmacology. Vol. 16, Pg. 663, 1964. |
| mouse | LDLo | oral | 6gm/kg (6000mg/kg) | Annales Pharmaceutiques Francaises. Vol. 21, Pg. 287, 1963. |
