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

Hazard Codes: Xn
Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 36 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS NI4475000

 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 .