timolol (CHEBI:39465)

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ChEBI Name	timolol

ChEBI ID	CHEBI:39465

Definition	1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group. The (S)-(−) enantiomer, also known as timolol, is a beta-adrenergic antagonist and is used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.

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

Secondary ChEBI IDs	CHEBI:106362

Supplier Information

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Formula

C13H24N4O3S

Net Charge

Average Mass

316.42082

Monoisotopic Mass

316.15691

InChI

InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3

InChIKey

BLJRIMJGRPQVNF-UHFFFAOYSA-N

SMILES

CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1

ChEBI Ontology
Outgoing	timolol (CHEBI:39465) has parent hydride 1,2,5-thiadiazole (CHEBI:39469) timolol (CHEBI:39465) is a morpholines (CHEBI:38785) timolol (CHEBI:39465) is a thiadiazoles (CHEBI:38099)

Incoming	(R)-timolol (CHEBI:39466) is a timolol (CHEBI:39465) (S)-timolol (anhydrous) (CHEBI:9599) is a timolol (CHEBI:39465)

IUPAC Name

1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

Registry Number	Type	Source
555286	Beilstein Registry Number	Beilstein

Last Modified

25 February 2016