Nitazoxanide

55981-09-4

CAS Name

Nitazoxanide

Molecular Formula

C₁₂H₉N₃O₅S

Molecular Mass

307.28

Compound Properties

• Melting Point (1)

  200-202 °C

• Density (2)

  1.629 g/cm³

Source(s)

• (1) Natarajan, Palani; Journal of Organic Chemistry, (2015), 80(21), 10498-10504, CAplus
• (2) Bruno, Flavia P.; Journal of Molecular Structure, (2010), 984(1-3), 51-57, CAplus

Other Names and Identifiers

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)

InChIKey

InChIKey=YQNQNVDNTFHQSW-UHFFFAOYSA-N

SMILES

C(NC=1SC(N(=O)=O)=CN1)(=O)C2=C(OC(C)=O)C=CC=C2

Canonical SMILES

O=C(OC=1C=CC=CC1C(=O)NC2=NC=C(S2)N(=O)=O)C

Other Names for this Substance