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CHEBI:182531 - Mapenterol hydrochloride

Default Structure
ChEBI IDCHEBI:182531
ChEBI NameMapenterol hydrochloride
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20ClF3N2O.HCl
Net Charge0
Average Mass361.235
Monoisotopic Mass360.09830
SMILESCCC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H20ClF3N2O.ClH/c1-4-13(2,3)20-7-11(21)8-5-9(14(16,17)18)12(19)10(15)6-8;/h5-6,11,20-21H,4,7,19H2,1-3H3;1H
InChIKeyLWJSGOMCMMDPEN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mapenterol hydrochloride (CHEBI:182531) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
1-[4-amino-3-chloro-5-(triluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride
Manual XrefsDatabases
15239174ChemSpider