CHEBI:135774 - ebrotidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ebrotidine
ChEBI ID CHEBI:135774
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H17BrN6O2S3
Net Charge 0
Average Mass 477.426
Monoisotopic Mass 475.97585
InChI InChI=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)
InChIKey ZQHFZHPUZXNPMF-UHFFFAOYSA-N
SMILES C(SCCN/C=N/S(=O)(=O)C1=CC=C(C=C1)Br)C=2N=C(SC2)NC(=N)N
ChEBI Ontology
Outgoing ebrotidine (CHEBI:135774) is a sulfonamide (CHEBI:35358)
Synonyms Sources
ebrodin DrugCentral
FI-3542 DrugCentral
ulsanic DrugCentral
Manual Xrefs Databases
979 DrugCentral
HMDB0041885 HMDB
View more database links
Registry Number Type Source
100981-43-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017