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| CAS No.: | 24169-02-6 |
|---|---|
| Name: | Econazole nitrate |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| 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: |
 Xn, Xi
|
| Risk Codes: | 22-36/38-36/37/38 |
| Safety: | 26-36-36/37 |
| PSA: | 93.10000 |
| LogP: | 5.97690 |
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Chemistry
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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,
Xi
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) .