chempirical

Isoconazole nitrate

C18H15Cl4N3O4CAS 24168-96-5479.14 g/mol

Open in Covalent MOL file
ClNNOClClClON+O−OH
Aryl halideEtherNitro

Properties

Molecular formula
C18H15Cl4N3O4
Molar mass
479.14 g/mol
Exact mass
476.9817 Da
Melting point
182–183 °C
logP
6.11Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Identifiers

CAS number
24168-96-5
SMILES
Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.O=[N+]([O-])O
InChIKey
NNGQLSIGRSTLLU-UHFFFAOYSA-N
InChI
InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-, nitrate (1:1)
  • Imidazole, 1-[2,4-dichloro-β-[(2,6-dichlorobenzyl)oxy]phenethyl]-, mononitrate
  • 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-, mononitrate
  • Adestan G 100
  • Gyno-travogen
  • Fazol
  • Travogen
  • R 15454
  • Travogyn

Work with Isoconazole nitrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Econazole nitrate24169-02-684 % similar Econazole nitrate68797-31-984 % similar Isoconazole27523-40-679 % similar Fenticonazole nitrate73151-29-875 % similar Sertaconazole nitrate99592-39-974 % similar Miconazole22916-47-865 % similar Econazole27220-47-964 % similar Sulconazole nitrate61318-91-062 % similar

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

Same formula

Miconazole nitrate22832-87-7

Elsewhere

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