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CHEBI:53779 - almitrine dimesylate

ChEBI IDCHEBI:53779
ChEBI Namealmitrine dimesylate
Stars
DefinitionThe dimethanesulfonate salt of almitrine.
Secondary ChEBI IDCHEBI:233800
Last Modified17 April 2014
SubmitterSteve
DownloadsMolfile
FormulaC26H29F2N7.2CH4O3S
Net Charge0
Average Mass669.777
Monoisotopic Mass669.22148
SMILESC=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)
InChIKeyMRDBGMJEPGXQHJ-UHFFFAOYSA-N
Roles Classification
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
almitrine dimesylate (CHEBI:53779) has part almitrine (CHEBI:53778)
almitrine dimesylate (CHEBI:53779) has role central nervous system stimulant (CHEBI:35337)
almitrine dimesylate (CHEBI:53779) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name 
N,N'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine dimethanesulfonate
Synonyms  Source
Almitrine mesylateKEGG DRUG
Almitrine bismesylateDrugBank
Almitrine dimethanesulfonateChemIDplus
(Diallylamino-4'-6'-triazinyl-2')-1-(bis p-fluorobenzydryl)-4 piperazine bis methanesulfonateChemIDplus
2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine dimethanesulfonateChemIDplus
6-(4-(Bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine dimethanesulfonateChemIDplus
Manual XrefsDatabases
D02822KEGG DRUG
DB01430DrugBank
Registry NumbersSources
Beilstein:5473183Beilstein
CAS:29608-49-9KEGG DRUG
CAS:29608-49-9ChemIDplus
Citations