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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

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.

Arpezine142-63-2Hydrate Niclosamide50-65-7Free acid Piperazine110-85-0Free base Piperazine citrate144-29-6Salt Piperazine adipate142-88-1Salt Niclosamide ethanolamine salt1420-04-8Salt Ogen7280-37-7Salt Piperazine hydrochloride142-64-3Salt Piperazine phosphate14538-56-8Salt Piperazine, phosphate (1:?)1951-97-9Salt Piperazine, phosphate, hydrate (1:1:1)18534-18-4Salt Piperazine, 2-hydroxy-1,2,3-propanetricarboxylate (3:2), hydrate41372-10-5Salt

Similar compounds

Nitrofungin619-08-949 % similar 2-Chloro-5-nitrobenzanilide22978-25-245 % similar Pigment red 42814-77-945 % similar Aklomide3011-89-044 % similar 3-Hydroxy-3'-nitro-2-naphthanilide135-65-944 % similar 2-Chloro-5-nitrophenol619-10-344 % similar 5-Chlorosalicylanilide4638-48-643 % similar 5-Nitrosalicylic acid96-97-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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