Theoxylline
Molecular Formula:
C
12
H
22
N
5
O
3
+
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/h3H,1-2H3,(H,8,9);7H,4-5H2,1-3H3/q;+1/f/h8H;
InChIKey:
InChIKey=RIKWPUSWRKPQAB-LUXJPWOACY
SMILES:
CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO
Names:
Brondecon
Choledyl
Cholegyl
Cholinophylline
Cholinophyllin
Oxtrimethylline
Soliphylline
Teofilcolina
Teokolin
Theoxylline
1,3-dimethyl-7H-purine-2,6-dione; 2-hydroxyethyl-trimethyl-azanium
Registries:
PubChem CID 20585
PubChem ID 163400