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CHEBI:188723 - Amibegron

ChEBI IDCHEBI:188723
ChEBI NameAmibegron
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26ClNO4
Net Charge0
Average Mass403.906
Monoisotopic Mass403.15504
SMILESCCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1
InChIKeyRDJQCOBTKKAQAH-FPOVZHCZSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Amibegron (CHEBI:188723) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
Manual XrefsDatabases
2299682ChemSpider
D08850KEGG DRUG
DB05395DrugBank
Registry NumbersSources
CAS:121524-08-1ChemIDplus