Basic information
- CAS
62774-96-3- Standard SMILES
Cn1cc(OCC(O)C[NH2+]C(C)(C)C)c2ccccc2c1=O.[Cl-]- InChIKey
SGPGESCZOCHFCL-UHFFFAOYSA-N- Molecular formula
- C17H25ClN2O3
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.1553704
Overview
See also: Tilisolol Hydrochloride (preferred).
Names & identifiers
- Preferred name
- (+/-)-4-(3-Tert-butylamino-2-hydroxypropoxy)-2-methyl-1(2H)-isoquinolinehydrochloride
- IUPAC
- tert-butyl-[2-hydroxy-3-(2-methyl-1-oxoisoquinolin-4-yl)oxypropyl]azanium chloride
- English name
- Tilisolol HCl
- Molecular weight
- 0
Names & synonyms
(+/-)-4-(3-TERT-BUTYLAMINO-2-HYDROXYPROPOXY)-2-METHYL-1(2H)-ISOQUINOLINEHYDROCHLORIDEN 696SelecalTilisolol HCltrade name Selecaltilisolol hydrochlorideTilisolol, trade name Selecal4-(3-(tert-ButylaMino)-2-hydroxypropoxy)-2-Methylisoquinolin-1(2H)-one hydrochloride1(2H)-Isoquinolinone, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-2-methyl-, monohydrochloride (9CI)
Database identifiers
- CAS
62774-96-3- PubChem CID
- 44155
Properties
Computed structural properties
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Melting point
- 203 · 203-205°
- storage temp.
- Sealed in dry,Room Temperature
- FDA UNII
- 2 T8UTIN · JW02T8UTIN
- Toxicity
- 50 in · LD50 in male, female mice and rats (mg/kg): 1393, 1290, 145, 188 orally; 1219, 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 & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in male, female mice and rats (mg/kg): 1393, 1290, 145, 188 orally; 1219, 1245, 176, 169 s.c.; 578, 557, 39.5, 29.2 i.p.; 74.3, 104.7, 75.8, 38.1 i.v. (Kawase)
Chemistry & industry
Applications
DescriptionTilisolol 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.
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Tilisolol hydrochloride is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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