Aliconazole
Basic information
- CAS
63824-12-4- Standard SMILES
Clc1ccc(/C(=C/c2ccc(Cl)cc2Cl)Cn2ccnc2)cc1- InChIKey
WNGFKUOERJDDIY-OQLLNIDSSA-N- Molecular formula
- C18H13Cl3N2
- Average molar mass
- 363.7 g/mol
- Monoisotopic mass
- 362.014432
Overview
Aliconazole is a small molecule drug. Aliconazole has a monoisotopic molecular weight of 362.01 Da.
Names & identifiers
- Preferred name
- Aliconazole
- IUPAC
- 1-[(Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enyl]imidazole
- English name
- aliconazole
- Molecular formula
- C18H13Cl3N2
- Molecular weight
- 363.67
Names & synonyms
Aliconazole63824-12-4AliconazolAliconazole [INN]1-[(Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enyl]imidazole(Z)-1-(2,4-Dichloro-beta-(p-chlorophenyl)cinnamyl)imidazole51HX72H34HAliconazole (INN)AliconazolumAliconazol [INN-Spanish]Aliconazolum [INN-Latin]UNII-51HX72H34H
Show more names
1-[(Z)-2,4-Dichloro-β-(4-chlorophenyl)cinnamyl]-1H-imidazole1-[(Z)-2-(4-Chlorophenyl)-3-(2,4-dichlorophenyl)-2-propenyl]-1H-imidazole1H-Imidazole, 1-[(2Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-2-propen-1-yl]-
EINECS 264-498-3orb1707693SCHEMBL2109608CHEMBL2106687SCHEMBL29532590WNGFKUOERJDDIY-OQLLNIDSSA-NDTXSID701024307HY-U00311
Database identifiers
- CAS
63824-12-4- PubChem CID
- 6436097
- DTXSID
DTXSID701024307- ChEMBL
CHEMBL2106687- UNII
- 51HX72H34H
- EC Number
- 264-498-3
- Nikkaji
- J19.222H
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 545 · 545.0±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 6.76 · 6.76±0.12(Predicted)
- FDA UNII
- 51 HX72H34H · 51HX72H34H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAliconazole is an antifungal imidazole derivative.
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Related reactions
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Compound notes
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