CHEBI:9450 - terbutaline sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name terbutaline sulfate
ChEBI ID CHEBI:9450
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C12H19NO3.H2O4S
C24H40N2O10S
Net Charge 0
Average Mass 548.649
Monoisotopic Mass 548.24037
InChI InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)
InChIKey KFVSLSTULZVNPG-UHFFFAOYSA-N
SMILES C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O.S(O)(O)(=O)=O.C1(C(CNC(C)(C)C)O)=CC(=CC(=C1)O)O
ChEBI Ontology
Outgoing terbutaline sulfate (CHEBI:9450) has functional parent terbutaline (CHEBI:9449)
terbutaline sulfate (CHEBI:9450) is a ethanolamine sulfate salt (CHEBI:38016)
Synonyms Sources
Brethine KEGG COMPOUND
Terbutaline sulfate KEGG COMPOUND
Manual Xref Database
D00688 KEGG DRUG
View more database links
Registry Number Type Source
23031-32-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017