Azathioprine

CAS Registry Number®

446-86-6
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CAS Name

Azathioprine

Molecular Formula

C9H7N7O2S

Molecular Mass

277.26

Cite this Page

Azathioprine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=446-86-6 (retrieved 2024-04-19) (CAS RN: 446-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)

InChIKey

InChIKey=LMEKQMALGUDUQG-UHFFFAOYSA-N

SMILES

S(C1=C2C(N=CN2)=NC=N1)C3=C(N(=O)=O)N=CN3C

Canonical SMILES

O=N(=O)C=1N=CN(C1SC2=NC=NC=3N=CNC32)C

Other Names for this Substance

  • 9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
  • Purine, 6-[(1-methyl-4-nitroimidazol-5-yl)thio]-
  • 1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
  • 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine
  • NSC 39084

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Deleted or Replaced CAS Registry Numbers

6165-04-4, 11120-16-4, 33609-91-5

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