6-Mercaptopurine (Azathioprine EP Impurity B) | CAS No. 50-44-2

6-Mercaptopurine (Azathioprine EP Impurity B)

Basic Information

CAS Number

50-44-2

Molecular Formula

C5H4N4S

Molecular Weight

152.18 g/mol

AD

Basic Physical Properties

Melting Point

241-244°C

Boiling Point

471.018°C at 760 mmHg

Flash Point

255.4°C

Refractive Index

1.828

Vapor Pressure

0mmHg at 25°C

C1=NC2=C(N1)C(=S)N=CN2

InChI

InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChIKey

GLVAUDGFNGKCSF-UHFFFAOYSA-N

LogP

0.6416

pKa

7.77, 11.17(at 25℃)

Topological Polar Surface Area

54.46 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

190

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • Glaxo Wellcome Brand of 6-Mercaptopurine
  • 9H-Purine-6-thiol
  • Mern
  • SCHEMBL12683725
  • HMS3651G07
  • DISCONTINUED, see M225450
  • SCHEMBL2790086
  • CHEBI:2208
  • AZATHIOPRINE IMPURITY B [EP IMPURITY]
  • Puri-Nethol
  • 7H-purine-6-thiol
  • C5-H4-N4-S.Na
  • SCHEMBL3893
  • 6-Thiohypoxanthine
  • Mercaptopurine (6-MP)
  • KBioSS_002366
  • HMS3369M05
  • Xaluprine
  • HMS3747A17
  • Purine-6(1H)-thione
  • MERCAPTOPURINE ANHYDROUS [WHO-DD]
  • CHEBI:94796
  • Mercapurin
  • Wellcome Brand of 6-Mercaptopurine
  • NSC 755
  • Spectrum2_000060
  • 157930-11-5
  • 6-Mercaptopurine
  • BSPBio_001981
  • 6-Thioxopurine
  • NCIMech_000025

MDL Number

MFCD03854445

Customs Code

2933599090

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