Registration Dossier

General information

Inventory

EC number:
200-385-7
EC name:
Theophylline
CAS number:
58-55-9

No inventory information available

Reference substance information

IUPAC name:
1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Synonyms
Names:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-
1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

CAS information

CAS number:
58-55-9

Molecular and structural information

Molecular formula:
C7H8N4O2
Molecular weight:
> 180.15 - < 180.17
SMILES notation:
CN1C(=O)N(C)c2nc[nH]c2C1=O
InChl:
InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
Structural formula:
Chemical structure