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CHEBI:197423 - W54011

ChEBI IDCHEBI:197423
ChEBI NameW54011
Stars
DefinitionPotent, specific and orally active C5a receptor antagonist
Last Modified31 October 2023
Submitterjonmuyskens
DownloadsMolfile
FormulaC30H36N2O2.HCl
Net Charge0
Average Mass493.091
Monoisotopic Mass492.25436
SMILESCOc1ccc2c(c1)C(C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2.Cl
InChIInChI=1S/C30H36N2O2.ClH/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28;/h9-19,21,28H,6-8,20H2,1-5H3;1H
InChIKeyUKBJWRMNGCDKNL-UHFFFAOYSA-N
Roles Classification
Biological Role:
C5a receptor antagonist  Any antagonist of the C5a receptor.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
W54011 (CHEBI:197423) has role anti-inflammatory agent (CHEBI:67079)
W54011 (CHEBI:197423) has role C5a receptor antagonist (CHEBI:144895)
W54011 (CHEBI:197423) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N-[4-(dimethylamino)benzyl]-7-methoxy-N-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide hydrochloride
Synonyms  Source
N-((4-dimethylaminophenyl)methyl)-N-(4-isopropylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-carboxamide hydrochlorideSUBMITTER
W 54011ChEBI
W-54011ChEBI
C5a receptor antagonist, W-54011ChEBI
Registry NumbersSources
CAS:405098-33-1SUBMITTER
Citations