Verapamil

Chemical Information
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile is a tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is a nitrile, an aromatic ether, a polyether and a tertiary amino compound.
| CAS Number | 52-53-9 |
| PubChem CID | 2520 |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile |
| Molecular Formula | C27H38N2O4 |
| Molecular Weight | 454.6 |
| XLogP | 3.8 |
| Topological Polar Surface Area | 64 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 606 |
| Property | Value |
|---|---|
| Molecular Weight | 454.6 |
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 13 |
| Exact Mass | 454.28315770 |
| Monoisotopic Mass | 454.28315770 |
| Topological Polar Surface Area | 64 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 606 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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