CHEBI:77782 - (R)-tetrindole mesylate

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ChEBI Name (R)-tetrindole mesylate
ChEBI ID CHEBI:77782
ChEBI ASCII Name (R)-tetrindole mesylate
Definition A methanesulfonate (mesylate) salt prepared from equimolar amounts of (R)-tetrindole and methanesulfonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H30N2O3S
Net Charge 0
Average Mass 390.54000
Monoisotopic Mass 390.19771
InChI InChI=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-;/m1./s1
InChIKey CWPNPYVNPOAMHY-GMUIIQOCSA-N
SMILES CS(O)(=O)=O.C1CCC(CC1)c1ccc2n3CCN[C@@H]4CCCc(c34)c2c1
ChEBI Ontology
Outgoing (R)-tetrindole mesylate (CHEBI:77782) has part (R)-tetrindole(1+) (CHEBI:77793)
(R)-tetrindole mesylate (CHEBI:77782) is a methanesulfonate salt (CHEBI:38037)
(R)-tetrindole mesylate (CHEBI:77782) is enantiomer of (S)-tetrindole mesylate (CHEBI:77785)
Incoming tetrindole mesylate (CHEBI:77779) has part (R)-tetrindole mesylate (CHEBI:77782)
(S)-tetrindole mesylate (CHEBI:77785) is enantiomer of (R)-tetrindole mesylate (CHEBI:77782)
IUPAC Names
(3aR)-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-3-ium methanesulfonate
(3aR)-8-cyclohexyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole methanesulfonate
Synonyms Sources
(R)-(−)-tetrindole mesylate ChEBI
(R)-(−)-tetrindole methanesulfonate ChEBI
(R)-tetrindole methanesulfonate ChEBI
Last Modified
19 March 2014