Theocolin

Molecular Formula: C₁₂H₂₁N₅O₃

InChI: InChI=1/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1/fC7H7N4O2.C5H14NO/h12h;/q-1;m

InChIKey: InChIKey=SOELXOBIIIBLRJ-PGYFHCKPCE
SMILES: CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO

Names:
    Choline theophylline (JAN)
    Choline theophylline
    D02017
    Oxtriphylline (USP)
    OXTRIPHYLLINE
    Theocolin (TN)
    Theocolin
    1,3-dimethyl-2-oxo-purin-6-olate; 2-hydroxyethyl-trimethyl-azanium
    4499-40-5

Registries:
    PubChem CID 656652
    PubChem ID 7849079