CHEBI:140421 - betrixaban

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ChEBI Name betrixaban
ChEBI ID CHEBI:140421
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
Download Molfile XML SDF
Formula C23H22ClN5O3
Net Charge 0
Average Mass 451.906
Monoisotopic Mass 451.14112
InChI InChI=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)
InChIKey XHOLNRLADUSQLD-UHFFFAOYSA-N
SMILES C1(=CC=C(C=C1)C(NC2=CC=C(C=C2C(=O)NC=3C=CC(=CN3)Cl)OC)=O)C(N(C)C)=N
Roles Classification
Biological Role(s): 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(s): anticoagulant
An agent that prevents blood clotting.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
betrixaban ChemIDplus
Synonyms Sources
PRT 054021 ChemIDplus
PRT054021 ChemIDplus
Manual Xref Database
D08873 KEGG DRUG
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Registry Numbers Types Sources
15486817 Reaxys Registry Number Reaxys
330942-05-7 CAS Registry Number ChemIDplus
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Last Modified
11 April 2018