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CHEBI:4682 - dolasetron

ChEBI IDCHEBI:4682
ChEBI Namedolasetron
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC19H20N2O3
Net Charge0
Average Mass324.380
Monoisotopic Mass324.14739
SMILESO=C(OC1CC2CC3CC(C1)N2CC3=O)c1cnc2ccccc12
InChIInChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2
InChIKeyUKTAZPQNNNJVKR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
dolasetron (CHEBI:4682) is a heteroarenecarboxylate ester (CHEBI:38064)
dolasetron (CHEBI:4682) is a indoles (CHEBI:24828)
dolasetron (CHEBI:4682) is a quinolizines (CHEBI:38063)
Incoming Relation(s)
dolasetron methanesulfonate (CHEBI:4683) has functional parent dolasetron (CHEBI:4682)
Synonyms  Source
DolasetronKEGG COMPOUND
dolasetron mesylateDrugCentral
dolasetron mesilateDrugCentral
anemetDrugCentral
dolasetron methanesulfonate hydrateDrugCentral
anzemetDrugCentral
Manual XrefsDatabases
C07866KEGG COMPOUND
D07867KEGG DRUG
3931DrugCentral
Registry NumbersSources
CAS:115956-12-2KEGG COMPOUND