EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4683 - dolasetron methanesulfonate

ChEBI IDCHEBI:4683
ChEBI Namedolasetron methanesulfonate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC19H20N2O3.CH4O3S
Net Charge0
Average Mass420.487
Monoisotopic Mass420.13551
SMILESCS(=O)(=O)O.O=C(OC1CC2CC3CC(C1)N2CC3=O)c1cnc2ccccc12
InChIInChI=1S/C19H20N2O3.CH4O3S/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;1-5(2,3)4/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4)
InChIKeyPSGRLCOSIXJUAL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
dolasetron methanesulfonate (CHEBI:4683) has functional parent dolasetron (CHEBI:4682)
dolasetron methanesulfonate (CHEBI:4683) is a methanesulfonate salt (CHEBI:38037)
Synonyms  Source
Dolasetron mesylateKEGG COMPOUND
AnzemetKEGG COMPOUND
Dolasetron methanesulfonateKEGG COMPOUND
Manual XrefsDatabases
D00725KEGG DRUG
Registry NumbersSources
CAS:115956-13-3KEGG COMPOUND