chempirical

Nitazoxanide

C12H9N3O5SCAS 55981-09-4307.28 g/mol

Open in Covalent MOL file
OOONHNN+OO−S
EsterNitro

Properties

Molecular formula
C12H9N3O5S
Molar mass
307.28 g/mol
Exact mass
307.0263 Da
Density
1.63 g/mL
logP
2.61Crippen estimate
Polar surface area
114.9 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4

Identifiers

CAS number
55981-09-4
SMILES
CC(=O)Oc1ccccc1C(O)=Nc1ncc([N+](=O)[O-])s1
InChIKey
YQNQNVDNTFHQSW-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)

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

Names and synonyms

29 names · show all
  • Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-
  • 2-(Acetyloxy)-N-(5-nitro-2-thiazolyl)benzamide
  • PH 5776
  • NTZ
  • Alinia
  • NSC 697855
  • BRN 1225475
  • DRG 0242
  • N-(5-Nitro-2-thiazolyl)salicylamide acetate (ester)
  • NTX
  • Cryptaz
  • Nitazoxanida
  • Nizonide
  • Nixide
  • Nitarid
  • Nixoran
  • Nitazox 500
  • Nitacure 500
  • Nitacure
  • Nitazode
  • Daxon
  • Dexidex
  • Kidonax
  • Mitafar
  • ParaMix
  • Pacovanton
  • Xerovirin-C
  • [2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
  • 2-[(5-Nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate

Work with Nitazoxanide

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

Tizoxanide173903-47-464 % similar 2-(Acetylamino)-5-nitrothiazole140-40-954 % similar Aspirin50-78-244 % similar 3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide1163-67-343 % similar Acetylsalicylsalicylic acid530-75-641 % similar Acetylsalicyloyl chloride5538-51-239 % similar Methyl 2-acetoxybenzoate580-02-939 % similar Benorylate5003-48-538 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook