CAS 5743-17-9PubChem CID 64120
Caffeine benzoate
- IUPAC name
- benzoic acid;1,3,7-trimethylpurine-2,6-dione
- Molecular formula
- C15H16N4O4
- Molecular weight
- 316.31 g/mol
- Exact mass
- 316.11715500 Da
- Topological polar surface area
- 95.7 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 5
- Covalent units
- 2
- Defined stereocentres
- 0
Also known as
caffeine, sodium benzoate drug combinationC2154V12SERefChem:122663227-257-3Caffeine-sodium benzoate1,3,7-Trimethyl-1H-purine-2,6(3H,7H)-dione benzoate1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; benzoic acidcaffeine - sodium benzoate
8 more reported names
Caffeine, monobenzoateEINECS 227-257-3UNII-C2154V12SEVXXKVQICUHMECR-UHFFFAOYSA-NCaffeine, benzoate drug combination1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monobenzoateBenzoic acid--1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-, BENZOATE (1:1)
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.