(R)-esmolol (CHEBI:60074)

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ChEBI Name	(R)-esmolol

ChEBI ID	CHEBI:60074

ChEBI ASCII Name	(R)-esmolol

Definition	A methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate that has R configuration. The drug esmolol is a racemate comprising equimolar amounts of (R)- and (S)-esmolol. While the S enantiomer possesses all of the heart rate control, both the R and the S enantiomer contribute to lowering blood pressure.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C16H25NO4

Net Charge

Average Mass

295.37400

Monoisotopic Mass

295.17836

InChI

InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3/t14-/m1/s1

InChIKey

AQNDDEOPVVGCPG-CQSZACIVSA-N

SMILES

COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	(R)-esmolol (CHEBI:60074) is a methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate (CHEBI:88206) (R)-esmolol (CHEBI:60074) is enantiomer of (S)-esmolol (CHEBI:60075)

Incoming	esmolol (CHEBI:4856) has part (R)-esmolol (CHEBI:60074) (S)-esmolol (CHEBI:60075) is enantiomer of (R)-esmolol (CHEBI:60074)

IUPAC Name

methyl 3-(4-{[(2R)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}phenyl)propanoate

Last Modified

13 October 2015