Mercaptopurine hydrate

6-Mercaptopurine An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.

Molecular Formula: C₅H₆N₄OS

InChI: InChI=1/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2/f/h6,8H;

InChIKey: InChIKey=WFFQYWAAEWLHJC-LBLQQZTHCK
SMILES: C1=NC2=C(N1)C(=S)N=CN2.O

Names:
    CCRIS 5819
    Mercaptopurine hydrate
    Mercaptopurine [BAN:INN:JAN]
    Mercaptopurine [USAN]
    Purine-6-thiol monohydrate
    Purine-6-thiol, monohydrate
    Purin-6-thiol, monohydrat [Czech]
    3,7-dihydropurine-6-thione hydrate
    6-Mercaptopurine hydrate
    6-MERCAPTOPURINE MONOHYDRATE
    6-Merkaptopurin, monohydrat [Czech]

Registries:
    PubChem CID 2724350
    PubChem ID 165142