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CHEBI:6005 - Isoetharine

Default Structure
ChEBI IDCHEBI:6005
ChEBI NameIsoetharine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC13H21NO3
Net Charge0
Average Mass239.315
Monoisotopic Mass239.15214
SMILESCCC(NC(C)C)C(O)c1ccc(O)c(O)c1
InChIInChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
InChIKeyHUYWAWARQUIQLE-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
Isoetharine (CHEBI:6005) is a catecholamine (CHEBI:33567)
Synonyms  Source
etyprenalineDrugCentral
isoctarineDrugCentral
isoetarinDrugCentral
isoetharineDrugCentral
IsoetharineKEGG COMPOUND
isoetharine HClDrugCentral
Manual XrefsDatabases
1491DrugCentral
C07053KEGG COMPOUND
D04625KEGG DRUG
HMDB0014366HMDB
LSM-4374LINCS
Registry NumbersSources
CAS:530-08-5KEGG COMPOUND