loading...| Preferred Name |
betrixaban |
|
| Synonyms |
N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide PRT 054021 PRT054021 betrixaban |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_140421 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:29119147 PMID:24344662 PMID:29338293 PMID:29171776 PMID:29609697 PMID:28808888 PMID:27881569 PMID:29279341 PMID:28267480 CAS:330942-05-7 PMID:29226697 PMID:27809616 PMID:19297154 PMID:29543384 PMID:27232649 PMID:27974029 PMID:28617144 PMID:29294463 PMID:29092766 PMID:28032973 PMID:28032972 PMID:29386864 PMID:29434384 PMID:28193799 PMID:29188425 PMID:28294628 Reaxys:15486817 KEGG:D08873 PMID:28840662 PMID:28743769 PMID:27974030 PMID:29212126 PMID:23964817 PMID:29503590 PMID:27824409 PMID:26170684 PMID:29594815 PMID:28698258 |
|
| 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. |
|
| formula |
C23H22ClN5O3 |
|
| has role | ||
| has_exact_synonym |
N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
PRT 054021 PRT054021 betrixaban |
|
| has_RxCUI |
1927851 |
|
| id |
CHEBI:140421 |
|
| in_subset | ||
| 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 |
|
| label |
betrixaban |
|
| mass |
451.906 |
|
| monoisotopicmass |
451.14112 |
|
| notation |
CHEBI:140421 |
|
| prefLabel |
betrixaban |
|
| 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 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25235 http://purl.obolibrary.org/obo/CHEBI_140325 http://purl.obolibrary.org/obo/CHEBI_24436 |