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
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Formula C26H29F2N7
Net Charge 0
Average Mass 477.55220
Monoisotopic Mass 477.245
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.
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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