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| CAS No.: | 24168-96-5 |
|---|---|
| Name: | Isoconazole nitrate |
| Molecular Structure: | |
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| Formula: | C18H14Cl4N2O.HNO3 |
| Molecular Weight: | 479.147 |
| Synonyms: | Adestan-G (TN);1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid;Adestan-G;1H-Imidazole,1-[2-(2,4-dichlorophenyl)-2- [(2,6-dichlorophenyl)methoxy]ethyl]-,mononitrate;Isoconazole nitrate (JAN);Adestan G 100; |
| EINECS: | 246-051-4 |
| Density: | 1.4 g/cm3 |
| Melting Point: | 178-182 °C |
| Boiling Point: | 555.1 °C at 760 mmHg |
| Flash Point: | 289.5 °C |
| Appearance: | COA |
| PSA: | 93.10000 |
| LogP: | 6.63030 |
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Specification
Isoconazole nitrate, with the Formula of C18H14Cl4N2O.HNO3, has the Synonyms of 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1h-imidazole mononitrate; 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazolium nitrate; 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-, mononitrate (9CI); Adestan G 100; Fazol; Gyno-Travogen; Imidazole, 1-[2,4-dichloro-b-[(2,6-dichlorobenzyl)oxy]phenethyl]-, mononitrate (8CI). Isoconazole nitrate is active against dermatophyte and fungi, and works to either kill or prevent their growth. Isoconazole nitrate is also active against some gram-positive bacteria such as Staphylococcus, micrococcus and streptococcus.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4);
(2)InChIKey=NNGQLSIGRSTLLU-UHFFFAOYSA-N;
(3)Smilesc1n(C[C@@H](OCc2c(cccc2Cl)Cl)c2c(cc(cc2)Cl)Cl)ccn1.[N+](O)(=O)[O-];
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 560mg/kg (560mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981. |
| mouse | LD50 | oral | 2gm/kg (2000mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981. |
| mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1371, 1982. | |
| rat | LD50 | intraperitoneal | 720mg/kg (720mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981. |
| rat | LD50 | oral | 5600mg/kg (5600mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE | Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 539, 1981. |
| rat | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1371, 1982. |