CHEBI:53778 - almitrine

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ChEBI Name almitrine ChEBI ID CHEBI:53778 Definition A triamino-1,3,5-triazine compound having allylamino substituents at the 2- and 4-positions and a 4-(bis(p-fluorophenyl)methyl)-1-piperazinyl group at the 6-position. Stars This entity has been manually annotated by the ChEBI Team. 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 C26H29F2N7 Net Charge 0 Average Mass 477.55220 Monoisotopic Mass 477.24525 InChI InChI=1S/C26H29F2N7/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/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33) InChIKey OBDOVFRMEYHSQB-UHFFFAOYSA-N SMILES 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 (CHEBI:53778) has role central nervous system stimulant (CHEBI:35337) almitrine (CHEBI:53778) is a piperazines (CHEBI:26144) almitrine (CHEBI:53778) is a triamino-1,3,5-triazine (CHEBI:38175) Incoming almitrine dimesylate (CHEBI:53779) has part almitrine (CHEBI:53778) IUPAC Name N,N'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine INNs Sources almitrina ChemIDplus almitrine KEGG DRUG almitrinum ChemIDplus Synonym Source 2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine ChEBI Manual Xrefs Databases 127 DrugCentral D07126 KEGG DRUG DB01430 DrugBank DE1947332 Patent US3647794 Patent View more database links Registry Numbers Types Sources 27469-53-0 CAS Registry Number KEGG DRUG 27469-53-0 CAS Registry Number ChemIDplus 27469-53-0 CAS Registry Number DrugBank 595996 Beilstein Registry Number Beilstein Last Modified 22 February 2017