THEOPHYLLINE CALCIUM SALICYLATE
Molecular Formula:
C
14
H
13
CaN
4
O
5
+
InChI:
InChI=1/C7H8N4O2.C7H6O3.Ca/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;8-6-4-2-1-3-5(6)7(9)10;/h3,5H,1-2H3;1-4,8H,(H,9,10);/q;;+2/p-1/fC7H8N4O2.C7H5O3.Ca/q;-1;m
InChIKey:
InChIKey=DTLFMTXKOWUJNB-QLMVKDMACP
SMILES:
CN1C2C(=NC=N2)C(=O)N(C1=O)C.C1=CC=C(C(=C1)C(=O)[O-])O.[Ca+2]
Names:
calcium; 1,3-dimethyl-4H-purine-2,6-dione; 2-hydroxybenzoate
THEOPHYLLINE CALCIUM SALICYLATE
129-98-6
Registries:
PubChem CID 8524
PubChem ID 151686