Basic information
- CAS
77590-95-5- Standard SMILES
CNC(=O)COc1ccccc1OCC(O)CNC(C)(C)C.Cl- InChIKey
CRYTUFSEASFGMP-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O4
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.165935
Overview
See also: Cetamolol (has active moiety).
Names & identifiers
- Preferred name
- Cetamolol Hydrochloride
- IUPAC
- 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide;hydrochloride
- English name
- 2-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenoxy]-N-methylacetamide monohydrochloride
- Molecular formula
- C16H27ClN2O4
- Molecular weight
- 346.84958
Names & synonyms
CETAMOLOL HYDROCHLORIDECetamolol HCl77590-95-55UNK5C6QM5AI-27303AI-27,303RefChem:124686278-729-0Cetamolol hydrochloride [USAN]Acetamide, 2-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-N-methyl-, monohydrochloride, (+-)-2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide;hydrochloride2-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenoxy]-N-methylacetamide monohydrochloride
Show more names
AI27,303AY-273032-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide,hydrochloride
Cetamolol hydrochloride (USAN)2-(2-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-N-methylacetamide monohydrochlorideEINECS 278-729-0UNII-5UNK5C6QM5AI 27303Cetamolol (hydrochloride)(+-)-2-(o-(3-(tert-Butylamino)-2-hydroxypropoxy)phenoxy)-N-methylacetamide monohydrochlorideSCHEMBL611636
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- FDA UNII
- 5 UNK5C6QM5 · 5UNK5C6QM5
Chemistry & industry
Applications
UsesCetamolol hydrochloride is classified as a potent β1-blocker with intrinsic sympathomimetic activity and cardioselectivity. Low and medium doses of Cetamolol and Atenolol produce a more prolonged inhibitory effect than the same doses of Propranolol and Dexpropranolol.
Suppliers5 total
上海技毅生物科技有限公司13621943973 · [email protected]
上海凯裕医药科技有限公司17317130613 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…