Caffeine citrate

Molecular Formula: C14H18N4O9


InChI: InChI=1/C8H10N4O2.C6H8O7/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/f/h;7,9,11H

InChIKey: InChIKey=RCQXSQPPHJPGOF-BGDPYBRRCH
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Names:
    Caffeine citrate
    NSC63248
    2-hydroxypropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione

Registries:
    PubChem CID 6241
    PubChem ID 109964