Basic information
- CAS
53908-21-7- Standard SMILES
CC(=O)Nc1ccc(O)cc1.CC(=O)Oc1ccccc1C(=O)O.Cn1c(=O)c2c(ncn2C)n(C)c1=O.NC(=O)c1ccccc1O- InChIKey
SZSLUWXHMBOZRZ-UHFFFAOYSA-N- Molecular formula
- C32H34N6O10
- Average molar mass
- 662.6 g/mol
- Monoisotopic mass
- 662.2336413
Names & identifiers
- Preferred name
- Acetaminophen-Aspirin-Caffeine mixt.
- IUPAC
- 2-acetyloxybenzoic acid;2-hydroxybenzamide;N-(4-hydroxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione
Names & synonyms
ExaprinDTXSID6020218453908-21-7RefChem:1075435DTXCID60124675Acetaminophen-Aspirin-Caffeine mixt.SCHEMBL293862192-(Acetoxy)benzoic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, 2-hydroxybenzamide and N-(4-hydroxyphenyl)acetamideBenzoic acid, 2-(acetoxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, 2-hydroxybenzamide and N-(4-hydroxyphenyl)acetamide
Database identifiers
- CAS
53908-21-7- PubChem CID
- 150304
- DTXSID
DTXSID60202184
Properties
Computed structural properties
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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