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]

Synthesis

Cetamolol synthesis:^[2]^[3]^[4]

^ Klausner, MA; Irwin, C; Mullane, JF; Shand, DG; Leese, PT; Arnold, JD; Wollberg, W; Wagner, NB; Wagner, GS (1988). "Effect of cetamolol on epinephrine-induced hypokalemia". Journal of Clinical Pharmacology. 28 (8): 751–6. doi:10.1002/j.1552-4604.1988.tb03210.x. PMID 2905711. S2CID 30767741.
^ GB 1458392, "Optically-active 1-aryloxy-2,3-epoxypropane derivatives", published 1976-12-15, assigned to Imperial Chemical Industries Ltd.
^ BE 767781, "Alkanolamines", published 1971-11-29, assigned to Imperial Chemical Industries Ltd.
^ D. J. Lecount, C. J. Squire, U.S. patent 4,059,622 (1977 to ICI).

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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