HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tilisolol Hydrochloride
N 696 · Selecal · Tilisolol HCl · trade name Selecal · tilisolol hydrochloride · Tilisolol, trade name Selecal · 4-(3-(tert-ButylaMino)-2-hydroxypropoxy)-2-Methylisoquinolin-1(2H)-one hydrochloride · 1(2H)-Isoquinolinone, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-2-methyl-, monohydrochloride (9CI)
Identifiers & Physical Properties
| CAS No. | 62774-96-3 |
|---|---|
| Molecular formula | C17H25ClN2O3 |
| Average molar mass | 340.8 g/mol |
| Monoisotopic mass | 340.1553704 g/mol |
| SMILES | Cl.Cn1cc(OCC(O)CNC(C)(C)C)c2ccccc2c1=O |
| InChIKey | SGPGESCZOCHFCL-UHFFFAOYSA-N |
| PubChem CID | 5284465 |
| ChEBI | CHEBI:32225 |
| DTXSID | DTXSID3021350 |
Chemical & Physical Properties
| Topological polar surface area | 61.8 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 428 |
| Melting point | 203-205° |
| Storage conditions | Sealed in dry,Room Temperature |
| FDA UNII | JW02T8UTIN |
| Toxicity | LD50 in male, female mice and rats (mg/kg): 1393, 1290, 145, 188 orally1219, 1245, 176, 169 s.c.578, 557, 39.5, 29.2 i.p.74.3, 104.7, 75.8, 38.1 i.v. (Kawase) |
Safety & Regulations
| Toxicity | LD50 in male, female mice and rats (mg/kg): 1393, 1290, 145, 188 orally1219, 1245, 176, 169 s.c.578, 557, 39.5, 29.2 i.p.74.3, 104.7, 75.8, 38.1 i.v. (Kawase) |
|---|
Applications & Uses
Description
Tilisolol hydrochloride is a long acting vasodilating beta-blocker useful in the treatment of hypertension and angina. It is also reported to have antiarrhythmic properties. Due to its relatively long half-life, tilisolol hydrochloride is suitable for once a day dosing. It is currently being investigated as an antiglaucoma agent.