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CHEBI:180945 - Zilpaterol

ChEBI IDCHEBI:180945
ChEBI NameZilpaterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19N3O2
Net Charge0
Average Mass261.325
Monoisotopic Mass261.14773
SMILESCC(C)N[C@@H]1CCn2c(=O)nc3cccc(c32)[C@H]1O
InChIInChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1
InChIKeyZSTCZWJCLIRCOJ-DGCLKSJQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
Zilpaterol (CHEBI:180945) is a benzazepine (CHEBI:35676)
IUPAC Name 
(9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Manual XrefsDatabases
DB11479DrugBank
2343170ChemSpider
Registry NumbersSources
CAS:119520-05-7ChemIDplus