6-Mercaptopurine
3,7-dihydropurine-6-thione
Molecular Identity
6-Mercaptopurine
3,7-dihydropurine-6-thione
PubChem CID: 667490
Mercaptopurine can cause developmental toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C5H4N4S
Molecular Formula
152.18
Molecular Weight
g/mol
152.0157
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
85.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
190
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
6-Mercaptopurinemercaptopurine50-44-2Mercapurin6-Thiopurine6-Thioxopurine9H-Purine-6-thiol6-MercaptopurinPuri-Nethol6-Thiohypoxanthine1,9-dihydro-6H-purine-6-thioneMercaptopurinHypoxanthine, thio-1,7-Dihydro-6H-purine-6-thione3,7-dihydropurine-6-thione
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 6-Mercaptopurine
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