2-Acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;1,3,7-trimethylpurine-2,6-dione;hydrochloride
Basic information
- CAS
83514-22-1- Standard SMILES
CC(=O)Oc1ccccc1C(=O)O.CC(C(O)c1ccccc1)N(C)C/C=C/c1ccccc1.CCOc1ccc(NC(C)=O)cc1.Cl.Cn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
GXVYKGFDXIZMAF-UHFFFAOYSA-N- Molecular formula
- C46H55ClN6O9
- Average molar mass
- 871.4 g/mol
- Monoisotopic mass
- 870.371905
Names & identifiers
- Preferred name
- 2-Acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;1,3,7-trimethylpurine-2,6-dione;hydrochloride
- IUPAC
- 2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;1,3,7-trimethylpurine-2,6-dione;hydrochloride
- English name
- Midol
- Molecular formula
- C46H55ClN6O9
- Molecular weight
- 871.43
Names & synonyms
83514-22-1Benzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N-(4-ethoxyphenyl)acetamide and alpha-(1-(methyl(3-phenyl-2-propenyl)amino)ethyl)benzenemethanol hydrochloride2-Acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;1,3,7-trimethylpurine-2,6-dione;hydrochlorideMidol
Database identifiers
- CAS
83514-22-1- PubChem CID
- 6441964
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 970
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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