Metipranolol

Chemical Information
Metipranolol is 3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an anti-arrhythmia drug and an antiglaucoma drug. It is a propanolamine, an aromatic ether, an acetate ester and a secondary amino compound.
| CAS Number | 22664-55-7 |
| PubChem CID | 31477 |
| IUPAC Name | [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate |
| Molecular Formula | C17H27NO4 |
| Molecular Weight | 309.4 |
| XLogP | 2.7 |
| Topological Polar Surface Area | 67.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 348 |
| Property | Value |
|---|---|
| Molecular Weight | 309.4 |
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 309.19400834 |
| Monoisotopic Mass | 309.19400834 |
| Topological Polar Surface Area | 67.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 348 |
| 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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