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CHEBI:94461 - 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea

Default Structure
ChEBI IDCHEBI:94461
ChEBI Name3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H33N3O4
Net Charge0
Average Mass379.501
Monoisotopic Mass379.24711
SMILESCCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
InChIInChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
InChIKeyJOATXPAWOHTVSZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea (CHEBI:94461) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
celiprolol HClDrugCentral
celiprolol hydrochlorideDrugCentral
celiprolol monohydrochlorideDrugCentral
DL-CeliprololDrugCentral
selectolDrugCentral
Manual XrefsDatabases
569DrugCentral
LSM-5187LINCS
Registry NumbersSources
CAS:56980-93-9DrugCentral