Theophylline Sodium Glycinate

Molecular Weight (g/mol)

277.21

Molecular Formula

C9H12N5NaO4

InChI

InChI=1S/C7H8N4O2.C2H5NO2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2(4)5;/h3H,1-2H3,(H,8,9);1,3H2,(H,4,5);/q;;+1/p-1

InChIKey

AIJQWRAOMFRHTQ-UHFFFAOYSA-M

SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(C(=O)[O-])N.[Na+]

IUPAC Name

sodium;2-aminoacetate;1,3-dimethyl-7H-purine-2,6-dione

Exact Mass (Da)

277.07869816

Monoisotopic Mass (Da)

277.07869816