CHEBI:53779 - almitrine dimesylate

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ChEBI Name almitrine dimesylate ChEBI ID CHEBI:53779 Definition The dimethanesulfonate salt of almitrine. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:233800 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H37F2N7O6S2 Net Charge 0 Average Mass 669.76300 Monoisotopic Mass 669.22148 InChI InChI=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) InChIKey MRDBGMJEPGXQHJ-UHFFFAOYSA-N SMILES CS(O)(=O)=O.CS(O)(=O)=O.Fc1ccc(cc1)C(N1CCN(CC1)c1nc(NCC=C)nc(NCC=C)n1)c1ccc(F)cc1 Roles Classification Application(s): central nervous system stimulant Any drug that enhances the activity of the central nervous system. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources (Diallylamino-4'-6'-triazinyl-2')-1-(bis p-fluorobenzydryl)-4 piperazine bis methanesulfonate ChemIDplus 2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine dimethanesulfonate ChemIDplus 6-(4-(Bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine dimethanesulfonate ChemIDplus Almitrine bismesylate DrugBank Almitrine dimethanesulfonate ChemIDplus Almitrine mesylate KEGG DRUG Manual Xrefs Databases D02822 KEGG DRUG DB01430 DrugBank View more database links Registry Numbers Types Sources 29608-49-9 CAS Registry Number ChemIDplus 29608-49-9 CAS Registry Number KEGG DRUG 5473183 Beilstein Registry Number Beilstein Citation Type Source 1352353 PubMed citation ChEMBL Last Modified 17 April 2014