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| CAS No.: | 61318-91-0 |
|---|---|
| Name: | Sulconazole nitrate |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H16Cl3N3O3 |
| Molecular Weight: | 460.768 |
| Synonyms: | SULCONAZOLE NITRATE SALT;(+-)-1-(2,4-dichloro-beta-((4-chlorobenzyl)thio)phenethyl)imidazolenitrate;,mononitrate,(+-)-;1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)-1h-imidazol;rs44872;1-[2-(P-CHLOROBENZYLTHIO)-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE NITRATE;1-[2-(P-CHLOROBENZYLTHIO)-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE NITRATE SALT;1-(2-[p-chlorobenzylthio]-2-[2,4-dichlorophenyl]ethyl)-1h-imidazole |
| EINECS: | 624-696-6 |
| Melting Point: | 130.5-132℃ |
| Boiling Point: | 558.2 °C at 760 mmHg |
| Flash Point: | 291.4 °C |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 36 |
| PSA: | 109.17000 |
| LogP: | 6.69350 |
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Chemistry
Molecule structure of Sulconazole nitrate (CAS NO.61318-91-0):
IUPAC Name: 1-[2-[(4-Chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
Molecular Weight: 460.76194 g/mol
Molecular Formula: C18H16Cl3N3O3S
Boiling Point: 558.2 °C at 760 mmHg
Flash Point: 291.4 °C
Enthalpy of Vaporization: 80.89 kJ/mol
Vapour Pressure: 6.4E-12 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 458.997795
MonoIsotopic Mass: 458.997795
Topological Polar Surface Area: 81.2
Heavy Atom Count: 28
Complexity: 404
Canonical SMILES: C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
InChI: InChI=1S/C18H15Cl3N2S.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: CRKGMGQUHDNAPB-UHFFFAOYSA-N
Classification Code of Sulconazole nitrate (CAS NO.61318-91-0): Antifungal; Drug / Therapeutic Agent; Reproductive Effect
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 810mg/kg (810mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 365, 1986. | |
| mouse | LD50 | oral | 2475mg/kg (2475mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 365, 1986. | |
| mouse | LD50 | subcutaneous | > 4gm/kg (4000mg/kg) | Yakkyoku. Pharmacy. Vol. 37, Pg. 1195, 1986. | |
| rat | LD50 | intraperitoneal | 735mg/kg (735mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 365, 1986. | |
| rat | LD50 | oral | 1741mg/kg (1741mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 17, Pg. 365, 1986. | |
| rat | LD50 | subcutaneous | > 4gm/kg (4000mg/kg) | Yakkyoku. Pharmacy. Vol. 37, Pg. 1195, 1986. |
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS NI4475000
Specification
Sulconazole nitrate (CAS NO.61318-91-0) is also named as (+-)-1-(2,4-Dichloro-beta-((4-chlorobenzyl)thio)phenethyl)imidazole nitrate ; (+-)-1-(2,4-Dichloro-beta-((p-chlorobenzyl)thio)phenethyl)imidazole mononitrate ; 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate, (+-)- ; Exelderm ; RS 44872 ; Sulconazole mononitrate ; UNII-1T89100D5U .