Theobromine sodium

Molecular Formula: C₇H₇N₄NaO₂

InChI: InChI=1/C7H8N4O2.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);/q;+1/p-1/fC7H7N4O2.Na/q-1;m

InChIKey: InChIKey=OZHPKSFNBCNLER-XOBYBBLGCX
SMILES: CN1C=NC2=C1C(=O)N=C(N2C)[O-].[Na+]

Names:
    EINECS 213-775-7
    Sodium theobromine
    sodium 3,7-dimethyl-6-oxo-purin-2-olate
    Theobrominate de sodium [French]
    Theobromine sodium
    Theobromine, sodium salt
    1010-59-9
    3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, sodium salt

Registries:
    PubChem CID 11019926
    PubChem ID 213861