Cetamolol

Cetamolol
Names
	IUPAC name 2-[2-[3-(tert-Butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide
Identifiers
CAS Number	34919-98-7 ; 77590-95-5 (hydrochloride) ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL2105989;
ChemSpider	48483;
KEGG	D03449;
PubChem CID	53698;
UNII	Z0VD1633O8 ; 5UNK5C6QM5 (hydrochloride) ;
CompTox Dashboard (EPA)	DTXSID20865739 ;
	InChI InChI=1S/C16H26N2O4/c1-16(2,3)18-9-12(19)10-21-13-7-5-6-8-14(13)22-11-15(20)17-4/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20) Key: UWCBNAVPISMFJZ-UHFFFAOYSA-N;
	SMILES CC(C)(C)NCC(COC1=CC=CC=C1OCC(=O)NC)O;
Properties
Chemical formula	C16H26N2O4
Molar mass	310.394 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Cetamolol is a beta adrenergic antagonist, more specifically a β₁-adrenergic blocker.^[1]

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Synthesis

Names

IUPAC name 2-[2-[3-(tert-Butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide
Identifiers
CAS Number	34919-98-7^Y 77590-95-5 (hydrochloride)^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL2105989
ChemSpider	48483
KEGG	D03449
PubChem CID	53698
UNII	Z0VD1633O8^Y 5UNK5C6QM5 (hydrochloride)^Y
CompTox Dashboard (EPA)	DTXSID20865739
InChI InChI=1S/C16H26N2O4/c1-16(2,3)18-9-12(19)10-21-13-7-5-6-8-14(13)22-11-15(20)17-4/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20) Key: UWCBNAVPISMFJZ-UHFFFAOYSA-N
SMILES CC(C)(C)NCC(COC1=CC=CC=C1OCC(=O)NC)O
Properties
Chemical formula	C₁₆H₂₆N₂O₄
Molar mass	310.394 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references