Search MNXref
 Feedback

afatinib

MNXM40387 is deprecated and here replaced by MNXM1369374
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369374 Image of MNXM1369374
referencechebi:61390
formulaC24H25ClFN5O3
global charge0
mol weight485.947
InChIKeyULXXDDBFHOBEHA-CWDCEQMOSA-N
InChIInChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
SMILESCN(C)C/C=C/C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1
MNX internals
InChI (mnx)InChI=1/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 Image of MNXM1369374
SMILES (mnx)[CH3:1][N:31]([CH3:2])[CH2:8]/[CH:3]=[CH:4]/[C:23](=[N:30]/[C:21]1=[C:22]([O:34][C@H:16]2[CH2:7][CH2:9][O:33][CH2:13]2)[CH:12]=[C:20]2[C:17](=[CH:11]1)[C:24]([NH:29][C:15]1=[CH:10][C:18]([Cl:25])=[C:19]([F:26])[CH:6]=[CH:5]1)=[N:28][CH:14]=[N:27]2)[OH:32]
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

reactome:R-ALL-1216527
reactomeM:R-ALL-1216527
reactome:R-ALL-1220577
reactomeM:R-ALL-1220577
CHEBI:61390
chebi:61390
ULXXDDBFHOBEHA-CWDCEQMOSA-N 		afatinib
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
BIBW 2992
afatinibum

kegg.drug:D09724
keggD:D09724
ULXXDDBFHOBEHA-CWDCEQMOSA-N 		Afatinib (USAN/INN)

keggD:M_D09724 		secondary/obsolete/fantasy identifier