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

Base Information

• Chemical 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
• CAS No.: 83514-22-1
• Molecular Formula: C46H55ClN6O9
• Molecular Weight: 871.43
• Mol file: 83514-22-1.mol

Synonyms:Midol

Chemical Property of 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

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 870.3719050
• Heavy Atom Count: 62
• Complexity: 970

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)C.CC(C(C1=CC=CC=C1)O)N(C)CC=CC2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl
• Isomeric SMILES: CCOC1=CC=C(C=C1)NC(=O)C.CC(C(C1=CC=CC=C1)O)N(C)C/C=C/C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl