Olanzapine impurity A[奥氮平杂质A]

138564-59-7

CAS Name

5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile

Molecular Formula

C₁₂H₉N₃O₂S

Molecular Mass

259.28

Compound Properties

• Melting Point (1)

  97-100 °C

Source(s)

• (1) Shevchenko, V. P.; Russian Journal of Bioorganic Chemistry, (2005), 31(4), 378-382, CAplus

Other Names and Identifiers

InChI

InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3

InChIKey

InChIKey=NPXUFPFFHANGDL-UHFFFAOYSA-N

SMILES

N(C1=C(C#N)C=C(C)S1)C2=C(N(=O)=O)C=CC=C2

Canonical SMILES

N#CC=1C=C(SC1NC=2C=CC=CC2N(=O)=O)C

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

216439-51-9