EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135569 - arotinolol

ChEBI IDCHEBI:135569
ChEBI Namearotinolol
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC15H21N3O2S3
Net Charge0
Average Mass371.553
Monoisotopic Mass371.07959
SMILESCC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1
InChIInChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20)
InChIKeyBHIAIPWSVYSKJS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
arotinolol (CHEBI:135569) is a aromatic amide (CHEBI:62733)
arotinolol (CHEBI:135569) is a thiophenes (CHEBI:26961)
Synonyms  Source
arotinolol HClDrugCentral
arotinolol hydrochlorideDrugCentral
Manual XrefsDatabases
243DrugCentral
Registry NumbersSources
CAS:68377-92-4DrugCentral