Theophylline (USP)

Properties Image Occurences in reactions MNX_ID MNXM161554 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C7H10N4O3 charge 0 mass 198.07529 reference keggD:D06103 InChIKey INQSMEFCAIHTJG-UHFFFAOYSA-N InChI InChI=1S/C7H8N4O2.H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);1H2 SMILES Cn1c(=O)c2[nH]cnc2n(C)c1=O.O
Parent-child relations graph	Deprecated MNXref IDs graph