API0231765

Caffeine Citrate

Caffeine is a central nervous system stimulant.

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Molecular Weight (g/mol)

386.31
Molecular Formula

C14H18N4O9
InChI

InChI=1S/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)
InChIKey

RCQXSQPPHJPGOF-UHFFFAOYSA-N
SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
IUPAC Name

2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
Exact Mass (Da)

386.10737816
Monoisotopic Mass (Da)

386.10737816

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