CHEBI:135751 - tobuterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tobuterol
ChEBI ID CHEBI:135751
Stars This entity has been manually annotated by a third party.
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Formula C28H31NO5
Net Charge 0
Average Mass 461.550
Monoisotopic Mass 461.22022
InChI InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-23-14-22(25(30)17-29-28(3,4)5)15-24(16-23)34-27(32)21-12-8-19(2)9-13-21/h6-16,25,29-30H,17H2,1-5H3
InChIKey GYJSIOWQEUTITA-UHFFFAOYSA-N
SMILES O(C(=O)C1=CC=C(C=C1)C)C2=CC(OC(=O)C3=CC=C(C=C3)C)=CC(=C2)C(CNC(C)(C)C)O
ChEBI Ontology
Outgoing tobuterol (CHEBI:135751) is a carbonyl compound (CHEBI:36586)
Manual Xref Database
2685 DrugCentral
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Registry Number Type Source
75626-99-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017