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24168-96-5

Basic Information
CAS No.: 24168-96-5
Name: Isoconazole nitrate
Article Data: 1
Molecular Structure:
Molecular Structure of 24168-96-5 (Isoconazole nitrate)
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.