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Cas Database

Name	Isoconazole nitrate	EINECS	246-051-4
CAS No.	24168-96-5	Density	1.4 g/cm³
PSA	93.10000	LogP	6.63030
Solubility	N/A	Melting Point	178-182 °C
Formula	C₁₈H₁₄Cl₄N₂O^.HNO₃	Boiling Point	555.1 °C at 760 mmHg
Molecular Weight	479.147	Flash Point	289.5 °C
Transport Information	N/A	Appearance	COA
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	1

Isoconazole nitrate Specification

Isoconazole nitrate, with the Formula of C₁₈H₁₄C_l4N₂O.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.

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