CAS 652-37-9PubChem CID 69550
Acefylline
- IUPAC name
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
- Molecular formula
- C9H10N4O4
- Molecular weight
- 238.20 g/mol
- Exact mass
- 238.07020481 Da
- XLogP3
- -0.8
- Topological polar surface area
- 95.7 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 5
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
Theophylline-7-acetic acidAcephyllineTheophyllineacetic acid7-(Carboxymethyl)theophylline7-Theophyllineacetic acid7-Theophyllinylacetic acidNSC-52996caffeine carboxylic acid
16 more reported names
Doxophylline metabolite m2M494UE2YEP7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic acid2-(p-Chlorphenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetateRefChem:108749211-490-2Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-1,3-Dimethylxanthine-7-acetic acidNSC 529962-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid2-(1,3-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-7-Yl)Acetic Acid1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7h-purine-7-acetic acid2-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acidCarboxymethyltheophylline
External database identifiers
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.