Basic information
- CAS
34919-98-7- Standard SMILES
CNC(=O)COc1ccccc1OCC(O)CNC(C)(C)C- InChIKey
UWCBNAVPISMFJZ-UHFFFAOYSA-N- Molecular formula
- C16H26N2O4
- Average molar mass
- 310.39 g/mol
- Monoisotopic mass
- 310.18925731
Overview
Cetamolol is an aromatic ether.
Names & identifiers
- Preferred name
- Cetamolol
- IUPAC
- 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide
- English name
- Cetamolol
- Molecular formula
- C16H26N2O4
- Molecular weight
- 310.39
Names & synonyms
CETAMOLOL34919-98-7CetamololumZ0VD1633O8DTXSID20865739RefChem:124685DTXCID90814113Cetamolol [INN]2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide2-{2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy}-N-methylacetamideAI27303; AI-27303; AI 27303; ICI72222; ICI-72222; ICI 72222UNII-Z0VD1633O8
Show more names
Cetamolol (free base)2-(2-(3-(tert-butylamino)-2-hydroxypropoxy)phenoxy)-N-methylacetamideAcetamide, 2-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-N-methyl-
Cetamololum [INN-Latin]ICI 72222ICI 72,222CETAMOLOL [MI]SCHEMBL79706CHEMBL156885orb1740089SCHEMBL29366363
Database identifiers
- CAS
34919-98-7- PubChem CID
- 53698
- DTXSID
DTXSID20865739- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
LogP1.36
Physicochemical properties
- Melting point
- 96 · 96-97°
- FDA UNII
- 0 VD1633O8 · Z0VD1633O8
Chemistry & industry
Applications
UsesAnti-adrenergic( β-receptor).
UsesCetamolol is a beta-adrenoceptor antagonist with cardioselectivity. In addition,Cetamolol is able toblock epinephrine-induced hypokalemia and isoproterenol-induced hypokalemia in anesthetized dogs.
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Cetamolol is an aromatic ether.
Related reactions
2 records
Compound notes
Loading…