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| CAS No.: | 99592-32-2 |
|---|---|
| Name: | Sertaconazole nitrate |
| Molecular Structure: | |
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| Formula: | C20H15Cl3N2OS |
| Molecular Weight: | 437.777 |
| Synonyms: | (+-)-1-(2,4-Dichloro-beta-((7-chlorobenzo(b)thien-3-yl)methoxy)phenethyl)imidazole;1-(2-((7-Chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole;7-Chloro-3-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethoxy-methyl)benzo(b)thiophene;7-Cloro-3-(1-(2,4-diclorofenil)-2-(1H-imidazol-1-il)etoxi-metil)benzo(b)tiofeno [Spanish];BRN 5385663;FI-7045;Sertaconazol [Spanish];Sertaconazol; |
| EINECS: | 1312995-182-4 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 146-147° |
| Boiling Point: | 614.1 °C at 760 mmHg |
| Flash Point: | 325.2 °C |
| PSA: | 55.29000 |
| LogP: | 7.01610 |
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Chemistry
Following is the structure of Sertaconazolum (CAS NO.99592-32-2):
IUPAC Name: 1-[2-[(7-Chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Empirical Formula: C20H15Cl3N2OS
Molecular Weight: 437.7699 g/mol
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 55.29 Å2
Molar Refractivity: 114.53 cm3
Molar Volume: 304.8 cm3
Density: 1.43 g/cm3
Flash Point: 325.2 °C
Index of Refraction: 1.675
Surface Tension: 51.4 dyne/cm
Enthalpy of Vaporization: 87.78 kJ/mol
Boiling Point: 614.1 °C at 760 mmHg
Vapour Pressure: 2.35E-14 mmHg at 25 °C
Canonical SMILES: C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2
InChIKey: JLGKQTAYUIMGRK-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 8gm/kg (8000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 725, 1992. | |
| mouse | LD | subcutaneous | > 8gm/kg (8000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 725, 1992. | |
| mouse | LDLo | intraperitoneal | 8gm/kg (8000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 725, 1992. | |
| rat | LD | intraperitoneal | > 8gm/kg (8000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 725, 1992. | |
| rat | LD | oral | > 8gm/kg (8000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 725, 1992. | |
| rat | LD | subcutaneous | > 8gm/kg (8000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 42, Pg. 725, 1992. |
Specification
Sertaconazolum , its cas register number is 99592-32-2. It also can be called 1-[2-[(7-Chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate ; (+-)-1-(2,4-Dichloro-beta-((7-chlorobenzo(b)thien-3-yl)methoxy)phenethyl)imidazole ; 1-(2-((7-Chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole ; 7-Chloro-3-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethoxy-methyl)benzo(b)thiophene ; 7-Cloro-3-(1-(2,4-diclorofenil)-2-(1H-imidazol-1-il)etoxi-metil)benzo(b)tiofeno ; Sertaconazol ; Sertaconazole nitrate ; and Sertaconazolum . Its classification code are Anti-Infective Agents; Antifungal agents; Drug / Therapeutic Agent and Reproductive Effect.