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24169-02-6

Basic Information
CAS No.: 24169-02-6
Name: Econazole nitrate
Article Data: 1
Molecular Structure:
Molecular Structure of 24169-02-6 (Econazole nitrate)
Formula: C18H16Cl3N3O4
Molecular Weight: 444.702
Synonyms: (+-)-Econazole nitrate;1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate;1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate;
EINECS: 246-053-5
Density: ==
Melting Point: 162 °C
Solubility: <0.1 g/100 mL at 19 ºC
Appearance: White crystalline powder.
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/38-36/37/38
Safety: 26-36-36/37
PSA: 93.10000
LogP: 5.97690
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Chemistry


IUPAC Name: 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
Canonical SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
InChI: InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey: DDXORDQKGIZAME-UHFFFAOYSA-N
Molecular Weight: 444.69634 [g/mol]
Molecular Formula: C18H16Cl3N3O4
H-Bond Donor: 1
H-Bond Acceptor: 5 
EINECS: 246-053-5 
Appearance: White crystalline powder.
Melting Point: 162 °C
Classification Code of Econazole nitrate (CAS NO.24169-02-6): Antifungal; Mutation data; Reproductive Effect; Skin / Eye Irritant 
Water Solubility: <0.1 g/100 mL at 19 °C
Product Categories: Aromatic Nitriles; Organics; ACTIVE PHARMACEUTICAL INGREDIENTS

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 160mg/kg (160mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 224, 1975.
guinea pig LD50 oral 272mg/kg (272mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 224, 1975.
mouse LD50 intraperitoneal 180mg/kg (180mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.
mouse LD50 intravenous 38mg/kg (38mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.
mouse LD50 oral 463mg/kg (463mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 224, 1975.
mouse LD50 subcutaneous 750mg/kg (750mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.
rabbit LD50 intravenous 85mg/kg (85mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.
rabbit LD50 oral 431mg/kg (431mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 1253, 1981.
rabbit LD50 subcutaneous 650mg/kg (650mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.
rat LD50 intraperitoneal 240mg/kg (240mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.
rat LD50 intravenous 50mg/kg (50mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.
rat LD50 oral 668mg/kg (668mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 224, 1975.
rat LD50 subcutaneous 1360mg/kg (1360mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 643, 1978.

Safety Profile

The Hazard Codes of Econazole nitrate (CAS NO.24169-02-6):  Xn,IrritantXi
Risk Statements:
22:  Harmful if swallowed 
36/37/38:  Irritating to eyes, respiratory system and skin 
36/38:  Irritating to eyes and skin 
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing 
36/37:  Wear suitable protective clothing and gloves 
WGK Germany: 3
RTECS: NI4450000

Specification

 Econazole nitrate (CAS NO.24169-02-6), its Synonyms are (+-)-Econazole nitrate ; 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate ; 1-(2-((4-Chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate ; Econazole mononitrate ; Epi-pevaryl ; Gyno-Pevaryl 150 ; Gyno-pevaryl ; Ifenec ; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate ; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate ; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate (9CI) ; 1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, nitrate ; Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-, mononitrate (8CI) .