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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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