Sertaconazole nitrate

C20H16Cl3N3O4SCAS 99592-39-9500.78 g/mol

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

Properties

Molecular formula
C20H16Cl3N3O4S
Molar mass
500.78 g/mol
Exact mass
498.9927 Da
Melting point
158–160 °C
logP
6.67Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
99592-39-9
SMILES
Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O
InChIKey
HAAITRDZHUANGT-UHFFFAOYSA-N
InChI
InChI=1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,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-[(7-chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, nitrate (1:1)
  • 1H-Imidazole, 1-[2-[(7-chlorobenzo[b]thien-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, mononitrate
  • FI 7056
  • Zalain
  • Dermofix
  • Ertaczo
  • Sertaconazole mononitrate
  • Dermovit
  • 1-[2-[(7-Chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole nitrate

Work with Sertaconazole 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

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.

Sertaconazole99592-32-2Free base

Similar compounds

Miconazole nitrate22832-87-778 % similar Isoconazole nitrate24168-96-574 % similar Econazole nitrate24169-02-672 % similar Econazole nitrate68797-31-972 % similar Fenticonazole nitrate73151-29-866 % similar Miconazole22916-47-860 % similar Tioconazole65899-73-258 % similar Isoconazole27523-40-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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