Alprenoxime

Alprenoxime
Clinical data
ATC code	None;
Identifiers
	IUPAC name 1-(2-allylphenoxy)-3-(isopropylamino)propan-2-one oxime;
CAS Number	118552-63-9 ;
PubChem CID	5489436;
ChemSpider	4590144 ;
ChEMBL	ChEMBL2105963 ;
Chemical and physical data
Formula	C15H22N2O2
Molar mass	262.35 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O(c1ccccc1C\C=C)C\C(=N\O)CNC(C)C;
	InChI InChI=1S/C15H22N2O2/c1-4-7-13-8-5-6-9-15(13)19-11-14(17-18)10-16-12(2)3/h4-6,8-9,12,16,18H,1,7,10-11H2,2-3H3/b17-14+ ; Key:XFQFSSGNEFUEPA-SAPNQHFASA-N ;
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Alprenoxime is a beta blocker.[1] It is a prodrug to alprenolol.[1]

Molecular Weight	262.34738 g/mol
Molecular Formula	C15H22N2O2
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	262.168128 g/mol
Monoisotopic Mass	262.168128 g/mol
Topological Polar Surface Area	53.8 A^2
Heavy Atom Count	19
Formal Charge	0
Complexity	290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1

References

Prokai L, Wu WM, Somogyi G, Bodor N (May 1995). "Ocular delivery of the beta-adrenergic antagonist alprenolol by sequential bioactivation of its methoxime analogue". Journal of Medicinal Chemistry. 38 (11): 2018–20. doi:10.1021/jm00011a021. PMID 7783133.

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