loading...| Preferred Name |
dabigatran |
|
| Synonyms |
dabigatran |
|
| Definitions |
An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_70752 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:WO2008009639 PMID:22411291 PMID:23476049 Patent:US6087380 PMID:22458575 PMID:22413715 Patent:US2006222640 PMID:22854367 KEGG:D09707 PMID:23020832 PMID:22612026 PMID:22494098 PMID:22314599 Patent:US2008015176 PMID:22227958 Patent:WO2006103206 PMID:22645678 PMID:22786838 PMID:22378612 PMID:22740145 PMID:22834159 PMID:22722043 PMID:22215856 PMID:22700854 Patent:WO2008009638 CAS:211914-51-1 PMID:22595629 Patent:WO2004014894 Patent:WO2006004575 Wikipedia:Dabigatran PMID:21956605 Reaxys:9168207 PMID:22431533 |
|
| definition |
An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism. |
|
| formula |
C25H25N7O3 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
dabigatran |
|
| id |
CHEBI:70752 |
|
| in_subset | ||
| inchi |
InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) |
|
| inchikey |
YBSJFWOBGCMAKL-UHFFFAOYSA-N |
|
| label |
dabigatran |
|
| mass |
471.51110 |
|
| monoisotopicmass |
471.20189 |
|
| notation |
CHEBI:70752 |
|
| prefLabel |
dabigatran |
|
| smiles |
Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_22823 http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_26421 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_22823 http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_26421 |