EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135774 - ebrotidine

ChEBI IDCHEBI:135774
ChEBI Nameebrotidine
Stars
Last Modified23 February 2017
DownloadsMolfile

FormulaC14H17BrN6O2S3
Net Charge0
Average Mass477.435
Monoisotopic Mass475.97585
SMILESN=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)
InChIKeyZQHFZHPUZXNPMF-UHFFFAOYSA-N

ChEBI Ontology
Synonyms  Source
ulsanicDrugCentral
FI-3542DrugCentral
ebrodinDrugCentral
Manual XrefsDatabases
979DrugCentral
HMDB0041885HMDB
Registry NumbersSources
CAS:100981-43-9DrugCentral