Dihydrocodeine bitartrate, aspirin and caffeine
Basic information
- CAS
79102-58-2- Standard SMILES
CC(=O)Oc1ccccc1C(=O)O.CC(CN1c2ccccc2Sc2ccccc21)N(C)C.CCOc1ccc(NC(C)=O)cc1.Cl.Cn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
ZGWVKGYYNSULOV-UHFFFAOYSA-N- Molecular formula
- C44H52ClN7O8S
- Average molar mass
- 874.4 g/mol
- Monoisotopic mass
- 873.3286605
Names & identifiers
- Preferred name
- Dihydrocodeine bitartrate, aspirin and caffeine
- IUPAC
- 2-acetyloxybenzoic acid;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;N-(4-ethoxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione;hydrochloride
- English name
- Synalgos
- Molecular formula
- C44H52ClN7O8S
- Molecular weight
- 874.44378
Names & synonyms
79102-58-2Dihydrocodeine bitartrate, aspirin and caffeine2-acetyloxybenzoic acid;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;N-(4-ethoxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione;hydrochlorideBenzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide and N,N,alpha-trimethyl-10H-phenothiazine-10-ethanamine monohydrochloride
Database identifiers
- CAS
79102-58-2- PubChem CID
- 133162
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 965
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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