EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77785 - (S)-tetrindole mesylate

ChEBI IDCHEBI:77785
ChEBI Name(S)-tetrindole mesylate
Stars
ASCII Name(S)-tetrindole mesylate
DefinitionA methanesulfonate (mesylate) salt prepared from equimolar amounts of (S)-tetrindole and methanesulfonic acid.
Last Modified19 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H26N2.CH4O3S
Net Charge0
Average Mass390.549
Monoisotopic Mass390.19771
SMILESCS(=O)(=O)O.[H][C@]12CCCc3c1n(c1ccc(C4CCCCC4)cc31)CCN2
InChIInChI=1S/C20H26N2.CH4O3S/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18;1-5(2,3)4/h9-10,13-14,18,21H,1-8,11-12H2;1H3,(H,2,3,4)/t18-;/m0./s1
InChIKeyCWPNPYVNPOAMHY-FERBBOLQSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-tetrindole mesylate (CHEBI:77785) has part (S)-tetrindole(1+) (CHEBI:77797)
(S)-tetrindole mesylate (CHEBI:77785) is a methanesulfonate salt (CHEBI:38037)
(S)-tetrindole mesylate (CHEBI:77785) is enantiomer of (R)-tetrindole mesylate (CHEBI:77782)
Incoming Relation(s)
tetrindole mesylate (CHEBI:77779) has part (S)-tetrindole mesylate (CHEBI:77785)
(R)-tetrindole mesylate (CHEBI:77782) is enantiomer of (S)-tetrindole mesylate (CHEBI:77785)
IUPAC Names 
(3aS)-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole methanesulfonate
(3aS)-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-3-ium methanesulfonate
Synonyms  Source
(S)-tetrindole methanesulfonateChEBI
(S)-(+)-tetrindole methanesulfonateChEBI
(S)-(+)-tetrindole mesylateChEBI