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CHEBI:9450 - terbutaline sulfate

ChEBI IDCHEBI:9450
ChEBI Nameterbutaline sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C12H19NO3.H2O4S
Net Charge0
Average Mass548.655
Monoisotopic Mass548.24037
SMILESCC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O
InChIInChI=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)
InChIKeyKFVSLSTULZVNPG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
terbutaline sulfate (CHEBI:9450) has functional parent terbutaline (CHEBI:9449)
terbutaline sulfate (CHEBI:9450) is a ethanolamine sulfate salt (CHEBI:38016)
Synonyms  Source
Terbutaline sulfateKEGG COMPOUND
BrethineKEGG COMPOUND
Manual XrefsDatabases
D00688KEGG DRUG
Registry NumbersSources
CAS:23031-32-5KEGG COMPOUND