1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole; nitric acid

• ChemBase ID: 168935
• Molecular Formular: C24H21Cl2N3O4S
• Molecular Mass: 518.41224
• Monoisotopic Mass: 517.06298253
• SMILES: C(C(c1c(cc(cc1)Cl)Cl)OCc1ccc(cc1)Sc1ccccc1)n1cncc1.[N+](=O)([O-])O
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncc1)OCc1ccc(cc1)Sc1ccccc1.[O-][N+](=O)O
• InChI: InChI=1S/C24H20Cl2N2OS.HNO3/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;2-1(3)4/h1-14,17,24H,15-16H2;(H,2,3,4)
• InChIKey: FJNRUWDGCVDXLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)phenyl]methoxy}ethyl]-1H-imidazole; nitric acid
• IUPAC Traditional name: acid, nitric; lomexin; lomexin; nitric acid
• Synonyms: 1-[2-(2,4-Dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1H-imidazoleNitrate; Falvin; Feniconazole Nitrate; Fenticonazole nitrate; Fentiderm; Lomexin Nitrate; REC 15-1476; Fenticonazole Nitrate

Database IDs

• CAS Number: 73151-29-8
• PubChem SID: 162263067
• PubChem CID: 51754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4068236
• LogD (pH = 7.4): 6.87132
• Log P: 6.9370284
• Molar Refractivity: 126.1421 cm^3
• Polarizability: 48.81766 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Off-White Solid
• Melting Point: 135-137°C

Safety Information

• Storage Condition: Refrigerator

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Nitrate

DETAILS

Toronto Research Chemicals - F279250

Broad spectrum antimycotic; also active as antibacterial. Antifungal (topical).

REFERENCES

• Nardi, D., et al.: Arzneim.- Forsch., 31, 2123 (1981)
• Gastaldi, A., et al.: Curr. Ther. Res., 38, 489 (1981)