EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53778 - almitrine

ChEBI IDCHEBI:53778
ChEBI Namealmitrine
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC26H29F2N7
Net Charge0
Average Mass477.563
Monoisotopic Mass477.24525
SMILESC=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1
InChIInChI=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)
InChIKeyOBDOVFRMEYHSQB-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 (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 Relation(s)
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  Source
almitrineKEGG DRUG
almitrinaChemIDplus
almitrinumChemIDplus
Synonym  Source
2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazineChEBI
Manual XrefsDatabases
D07126KEGG DRUG
DB01430DrugBank
DE1947332Patent
US3647794Patent
127DrugCentral
Registry NumbersSources
Beilstein:595996Beilstein
CAS:27469-53-0KEGG DRUG
CAS:27469-53-0DrugBank
CAS:27469-53-0ChemIDplus