CHEBI:136048 - vonoprazan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vonoprazan
ChEBI ID CHEBI:136048
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H16FN3O2S
Net Charge 0
Average Mass 345.393
Monoisotopic Mass 345.09473
InChI InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
InChIKey BFDBKMOZYNOTPK-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C2=CC(=CN2S(C=3C=NC=CC3)(=O)=O)CNC)F
ChEBI Ontology
Outgoing vonoprazan (CHEBI:136048) is a pyrroles (CHEBI:26455)
Synonyms Sources
TAK-438 DrugCentral
takecab DrugCentral
vonoprazan fumarate DrugCentral
Manual Xref Database
4993 DrugCentral
View more database links
Registry Number Type Source
881681-00-1 CAS Registry Number DrugCentral
Last Modified
23 February 2017