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2-Mercaptopurine
[CAS 28128-19-0]

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Achemica Switzerland
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Sigma-Aldrich, Inc. USA
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Chemical manufacturer since 1992
Identification
Name 2-Mercaptopurine
Synonyms 2-Thiopurine; 2H-Purine-2-Thione, 1,3-Dihydro-; 1,3-Dihydro-2H-Purine-2-Thione
Molecular Structure CAS#: 28128-19-0, 2-Mercaptopurine
Molecular Formula C5H4N4S
Molecular Weight 152.17
CAS Registry Number 28128-19-0 (31441-78-8)
EINECS 248-855-0
SMILES C2=NC1=C(C=NC(=S)N1)[NH]2
InChI 1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)
InChIKey HDBQZGJWHMCXIL-UHFFFAOYSA-N
Properties
Density 1.826g/cm3 (Cal.)
Boiling point 498.646°C at 760 mmHg (Cal.)
Flash point 255.372°C (Cal.)
References
(1) Allison Derenne, Régis Gasper and Erik Goormaghtigh. The FTIR spectrum of prostate cancer cells allows the classification of anticancer drugs according to their mode of action, Analyst, 2011, 136, 1134.
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