chempirical

Butoconazole nitrate

C19H18Cl3N3O3SCAS 64872-77-1474.78 g/mol

Open in Covalent MOL file
ClNNSClClON+O−OH
Aryl halideNitroSulfide

Properties

Molecular formula
C19H18Cl3N3O3S
Molar mass
474.78 g/mol
Exact mass
473.0134 Da
Melting point
162–163 °C
logP
6.29Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
7

Identifiers

CAS number
64872-77-1
SMILES
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O
InChIKey
ZHPWRQIPPNZNML-UHFFFAOYSA-N
InChI
InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(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-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, nitrate (1:1)
  • 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, (±)-, mononitrate
  • 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, mononitrate
  • (±)-Butoconazole nitrate
  • Gynomyk
  • RS 35887
  • Femstat
  • RS 35887-00-10-3
  • Butaconazole nitrate

Work with Butoconazole 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

Butoconazole64872-76-078 % similar Sulconazole nitrate61318-91-061 % similar Econazole nitrate24169-02-659 % similar Econazole nitrate68797-31-959 % similar Isoconazole nitrate24168-96-554 % similar Fenticonazole nitrate73151-29-854 % similar Miconazole nitrate22832-87-753 % similar α-[2-(4-Chlorophenyl)ethyl]-1H-imidazole-1-ethanol67085-11-449 % similar

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

Elsewhere

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