Econazole nitrate

C18H16Cl3N3O4CAS 24169-02-6444.69 g/mol

ClONNClClON+O−OH
Aryl halideEtherNitro

Properties

Molecular formula
C18H16Cl3N3O4
Molar mass
444.69 g/mol
Exact mass
443.0206 Da
Melting point
162 °C
Water solubility
< 1 g/L (18.9 °C)
logP
5.45Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number
24169-02-6
SMILES
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O
InChIKey
DDXORDQKGIZAME-UHFFFAOYSA-N
InChI
InChI=1S/C18H15Cl3N2O.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)

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Names and synonyms

20 names · show all
  • 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, nitrate (1:1)
  • Imidazole, 1-[2,4-dichloro-β-[(p-chlorobenzyl)oxy]phenethyl]-, mononitrate
  • 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, mononitrate
  • 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, (±)-, mononitrate
  • R 14827
  • 1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate
  • Pevaryl
  • (±)-Econazole nitrate
  • Spectazole
  • Pargin
  • Epi-pevaryl
  • Ifenec
  • Ecostatin
  • Micogin
  • SQ 13050
  • Gyno-pevaril
  • Palavale
  • Micofugal
  • NSC 243115
  • Gynoryl

Work with Econazole nitrate

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere