chempirical

Niclosamide piperazine salt

C17H18Cl2N4O4CAS 34892-17-6413.26 g/mol

Open in Covalent MOL file
NHHNON+O−NHOClHOCl
Aryl halideNitroPhenolSecondary amine

Properties

Molecular formula
C17H18Cl2N4O4
Molar mass
413.26 g/mol
Exact mass
412.0705 Da
logP
3.42Crippen estimate
Polar surface area
120.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3

Identifiers

CAS number
34892-17-6
SMILES
C1CNCCN1.O=[N+]([O-])c1ccc(N=C(O)c2cc(Cl)ccc2O)c(Cl)c1
InChIKey
IAIUNINVFIUGNZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8Cl2N2O4.C4H10N2/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h1-6,18H,(H,16,19);5-6H,1-4H2

Weigh it out

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

Names and synonyms

3 names
  • Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-, compd. with piperazine (1:?)
  • Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-, compd. with piperazine
  • Piperazine, compd. with 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

Work with Niclosamide piperazine salt

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

Niclosamide50-65-788 % similar Niclosamide ethanolamine salt1420-04-877 % similar Nitrofungin619-08-949 % similar 2-Chloro-5-nitrobenzanilide22978-25-245 % similar Pigment red 42814-77-945 % similar Aklomide3011-89-044 % similar 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide135-65-944 % similar 2-Chloro-5-nitrophenol619-10-344 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook