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Grapiprant (USAN/INN)

PropertiesImage
MNX_IDMNXM156450 Image of MNXM156450
referencekeggD:D10638
formulaC26H29N5O3S
global charge0
mol weight491.617
InChIKeyHZVLFTCYCLXTGV-UHFFFAOYSA-N
InChIInChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
SMILESCCC1=NC2=C(C=C(C)N=C2C)N1C1=CC=C(CCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32) Image of MNXM156450
SMILES (mnx)[CH3:1][CH2:5][C:24]1=[N:29][C:25]2=[C:23]([CH:16]=[C:18]([CH3:3])[N:28]=[C:19]2[CH3:4])[N:31]1[C:21]1=[CH:11][CH:9]=[C:20]([CH2:14][CH2:15][N:27]=[C:26]([NH:30][S:35]([C:22]2=[CH:13][CH:7]=[C:17]([CH3:2])[CH:6]=[CH:12]2)(=[O:33])=[O:34])[OH:32])[CH:8]=[CH:10]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

kegg.drug:D10638
keggD:D10638
HZVLFTCYCLXTGV-UHFFFAOYSA-N 		Grapiprant (USAN/INN)
hmdb:HMDB0252937
HZVLFTCYCLXTGV-UHFFFAOYSA-N 		Grapiprant
1-(2-(4-(2-Ethyl-4,6-dimethylimidazo(4,5-c)pyridin-1-yl)phenyl)ethyl)-3-(4-methylphenyl)sulfonylurea
2-(4-{2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl}phenyl)-N-(4-methylbenzenesulfonyl)ethane-1-carbamimidate
2-(4-{2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl}phenyl)-N-(4-methylbenzenesulphonyl)ethane-1-carbamimidate
2-(4-{2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl}phenyl)-N-(4-methylbenzenesulphonyl)ethane-1-carbamimidic acid
3-[2-(4-{2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl}phenyl)ethyl]-1-(4-methylbenzenesulfonyl)urea
3-[2-(4-{2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl}phenyl)ethyl]-1-(4-methylbenzenesulfonyl)urea
AAT-007CJ-023grapiprant
RQ-7MR10a7

keggD:M_D10638 		secondary/obsolete/fantasy identifier