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CHEBI:140421 - betrixaban

ChEBI IDCHEBI:140421
ChEBI Namebetrixaban
Stars
DefinitionA secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.
Last Modified11 April 2018
SubmitterBijay
DownloadsMolfile
FormulaC23H22ClN5O3
Net Charge0
Average Mass451.914
Monoisotopic Mass451.14112
SMILESCOc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
InChIKeyXHOLNRLADUSQLD-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.4.21.6 (coagulation factor Xa) inhibitor  An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of coagulation factor Xa (EC 3.4.21.6).
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
betrixaban (CHEBI:140421) has role anticoagulant (CHEBI:50249)
betrixaban (CHEBI:140421) has role EC 3.4.21.6 (coagulation factor Xa) inhibitor (CHEBI:68581)
betrixaban (CHEBI:140421) is a benzamides (CHEBI:22702)
betrixaban (CHEBI:140421) is a guanidines (CHEBI:24436)
betrixaban (CHEBI:140421) is a monochloropyridine (CHEBI:39172)
betrixaban (CHEBI:140421) is a monomethoxybenzene (CHEBI:25235)
betrixaban (CHEBI:140421) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide
INN  Source
betrixabanChemIDplus
Synonyms  Source
PRT054021ChemIDplus
PRT 054021ChemIDplus
Manual XrefsDatabases
D08873KEGG DRUG
Registry NumbersSources
Reaxys:15486817Reaxys
CAS:330942-05-7ChemIDplus
Citations