Preferred Name |
Timolol |
|
Synonyms |
1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
|
Definitions |
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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_39465 |
|
charge |
0 |
|
database_cross_reference |
Beilstein:555286 DrugBank:DB00373 LINCS:LSM-4397 HMDB:HMDB0014517 |
|
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. |
|
formula |
C13H24N4O3S |
|
has parent hydride | ||
has_alternative_id |
CHEBI:106362 |
|
has_exact_synonym |
1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol |
|
has_obo_namespace |
chebi_ontology |
|
has_RxCUI |
10600 |
|
id |
CHEBI:39465 |
|
in_subset | ||
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 |
|
is_bearer_of | ||
label |
Timolol timolol |
|
mass |
316.42000 316.42082 |
|
monoisotopicmass |
316.15691 |
|
notation |
CHEBI:39465 |
|
prefLabel |
Timolol |
|
smiles |
CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1 |
|
subClassOf |