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almitrine

PropertiesImage
MNX_IDMNXM40877 Image of MNXM40877
referencechebi:53778
formulaC26H29F2N7
global charge0
mol weight477.563
InChIKeyOBDOVFRMEYHSQB-UHFFFAOYSA-N
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)
SMILESC=CCNC1=NC(NCC=C)=NC(N2CCN(C(C3=CC=C(F)C=C3)C3=CC=C(F)C=C3)CC2)=N1
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM40877
SMILES (mnx)[CH2:1]=[CH:3][CH2:13][N:29]=[C:24]1[NH:31][C:25](=[N:30][CH2:14][CH:4]=[CH2:2])[NH:33][C:26]([N:35]2[CH2:17][CH2:15][N:34]([CH:23]([C:19]3=[CH:6][CH:10]=[C:21]([F:27])[CH:9]=[CH:5]3)[C:20]3=[CH:8][CH:12]=[C:22]([F:28])[CH:11]=[CH:7]3)[CH2:16][CH2:18]2)=[N:32]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:53778
chebi:53778
OBDOVFRMEYHSQB-UHFFFAOYSA-N 		almitrine
2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine
N,N'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine
almitrina
almitrinum

kegg.drug:D07126
keggD:D07126
OBDOVFRMEYHSQB-UHFFFAOYSA-N 		Almitrine (INN)
hmdb:HMDB0015499
OBDOVFRMEYHSQB-UHFFFAOYSA-N 		Almitrine
2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-S-triazine
6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-N2,N4-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
Almitrina
Almitrine bis(methanesulfonate)
Almitrine bismesylate
Almitrine dimesylate
Almitrine monomesylate
Almitrinum
Eutherapie brand OF almitrine dimesilate
Monomesylate, almitrine
Servier brand OF almitrine dimesilate
Vectarion
almitrine

hmdb:HMDB15499
keggD:M_D07126 		secondary/obsolete/fantasy identifier