CHEBI:8246 - Pirbuterol acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pirbuterol acetate
ChEBI ID CHEBI:8246
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C12H20N2O3.C2H4O2
C14H24N2O5
Net Charge 0
Average Mass 300.351
Monoisotopic Mass 300.16852
InChI InChI=1S/C12H20N2O3.C2H4O2/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;1-2(3)4/h4-5,11,13,15-17H,6-7H2,1-3H3;1H3,(H,3,4)
InChIKey QSXMZJGGEWYVCN-UHFFFAOYSA-N
SMILES C(C)(O)=O.C=1(N=C(C(O)=CC1)CO)C(CNC(C)(C)C)O
ChEBI Ontology
Outgoing Pirbuterol acetate (CHEBI:8246) is a hydroxypyridine (CHEBI:24745)
Synonyms Sources
Maxair KEGG COMPOUND
Pirbuterol acetate KEGG COMPOUND
Manual Xref Database
D00686 KEGG DRUG
View more database links
Registry Number Type Source
65652-44-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017