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rilpivirine(1+)

PropertiesImage
MNX_IDMNXM108561 Image of MNXM108561
referencechebi:68605
formulaC22H19N6
global charge1
mol weight367.436
InChIKeyYIBOMRUWOWDFLG-ONEGZZNKSA-O
InChIInChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/p+1/b4-3+
SMILESCC1=CC(/C=C/C#N)=CC(C)=C1NC1=NC(NC2=CC=C(C#N)C=C2)=NC=C1.[H+]
MNX internals
InChI (mnx)InChI=1/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+ Image of MNXM108561
SMILES (mnx)[CH3:1][C:15]1=[CH:12][C:18](/[CH:4]=[CH:3]/[C:10]#[N:23])=[CH:13][C:16]([CH3:2])=[C:21]1[N:27]=[C:20]1[CH:9]=[CH:11][N:25]=[C:22]([NH:26][C:19]2=[CH:8][CH:6]=[C:17]([C:14]#[N:24])[CH:5]=[CH:7]2)[NH:28]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:68605
chebi:68605
YIBOMRUWOWDFLG-ONEGZZNKSA-O 		rilpivirine(1+)
rilpivirine cation

kegg.drug:D09720
keggD:D09720
YIBOMRUWOWDFLG-ONEGZZNKSA-N 		Rilpivirine (JAN/USAN/INN)
Rekambys (TN)
hmdb:HMDB0061725
YIBOMRUWOWDFLG-ONEGZZNKSA-N 		Rilpivirine
278, TMC
4-{[4-({4-[(1E)-2-cyanoeth-1-en-1-yl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
4-{[4-({4-[(e)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
HCL, Rilpivirine
Hydrochloride, rilpivirine
Rilpivirine HCL
Rilpivirine hydrochloride
TMC 278
TMC-278
TMC278
rilpivirine

CHEBI:68606
chebi:68606
YIBOMRUWOWDFLG-ONEGZZNKSA-N 		rilpivirine
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
TMC 278
TMC278

hmdb:HMDB61725
keggD:M_D09720 		secondary/obsolete/fantasy identifier