EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:752078 - crisnatol mesylate

Default Structure
ChEBI IDCHEBI:752078
ChEBI Namecrisnatol mesylate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaCH4O3S.C23H23NO2
Net Charge0
Average Mass441.549
Monoisotopic Mass441.16099
SMILESCC(CO)(CO)NCc1cc2c3ccccc3ccc2c2ccccc12.CS(=O)(=O)O
InChIInChI=1S/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-17-12-22-18-7-3-2-6-16(18)10-11-21(22)20-9-5-4-8-19(17)20;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4)
InChIKeyNJWBUDCAWGTQAS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
crisnatol mesylate (CHEBI:752078) is a carbopolycyclic compound (CHEBI:35294)
Synonyms  Source
Bw a770u mesilateChEMBL
BW A770U MESYLATEChEMBL
BW-A-770U MESYLATEChEMBL
Crisnatol mesilateChEMBL
Crisnatol mesylateChEMBL