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CHEBI:140421 - betrixaban

Default Structure
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).
Applications:
anti-arrhythmia drug  A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
betrixaban (CHEBI:140421) has role anti-arrhythmia drug (CHEBI:38070)
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) has role renoprotective agent (CHEBI:231911)
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 organic molecular entity (CHEBI:50860)
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
Betrixaban maleateChEMBL
PRT 054021ChemIDplus
PRT-054021ChEMBL
PRT054021ChemIDplus
Brand Name  Source
BevyxxaChEMBL
Manual XrefsDatabases
D08873KEGG DRUG
Registry NumbersSources
Reaxys:15486817Reaxys
CAS:330942-05-7ChemIDplus
Citations