Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025

Id	http://purl.obolibrary.org/obo/CHEBI_8245 http://purl.obolibrary.org/obo/CHEBI_8245
Preferred Name	Pirbuterol
Synonyms	(+/-)-Pirbuterol pirbuterol HCl pirbuterol hydrochloride pirbuterol acetate Pirbuterol
Type	http://www.w3.org/2002/07/owl#Class

label	Pirbuterol
prefLabel	Pirbuterol
database_cross_reference	KEGG:C07807 KEGG:D08387 CAS:38677-81-5 HMDB:HMDB0015407 Drug_Central:2199
notation	CHEBI:8245
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
has_related_synonym	(+/-)-Pirbuterol pirbuterol HCl pirbuterol hydrochloride pirbuterol acetate
id	CHEBI:8245
charge	0
has_obo_namespace	chebi_ontology
formula	C12H20N2O3
subClassOf	http://purl.obolibrary.org/obo/CHEBI_26421
inchikey	VQDBNKDJNJQRDG-UHFFFAOYSA-N
mass	240.299
monoisotopicmass	240.14739
type	http://www.w3.org/2002/07/owl#Class
smiles	CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
has_exact_synonym	Pirbuterol
treeView	http://purl.obolibrary.org/obo/CHEBI_26421

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