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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Preferred Name | dabigatran | |
| Synonyms |
dabigatran C25H25N7O3 |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_70752 |
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| 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.
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| has role | ||
| 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)
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| InChIKey |
InChIKey=YBSJFWOBGCMAKL-UHFFFAOYSA-N
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| label |
dabigatran
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| prefixIRI |
obo2:CHEBI_70752
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| prefLabel |
dabigatran
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| SMILES |
Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1
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| Synonym |
dabigatran C25H25N7O3
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| xref |
Patent:WO2008009639 CiteXplore:22722043 CiteXplore:22215856 Patent:US6087380 Patent:US2006222640 CiteXplore:22494098 CiteXplore:21956605 CiteXplore:23476049 CiteXplore:22595629 KEGG DRUG:D09707 CiteXplore:22431533 CiteXplore:22700854 Patent:US2008015176 CiteXplore:23020832 Patent:WO2006103206 CiteXplore:22413715 CiteXplore:22314599 CiteXplore:22378612 CiteXplore:22458575 CiteXplore:22834159 CiteXplore:22227958 CiteXplore:22786838 CiteXplore:22854367 CiteXplore:22740145 Patent:WO2008009638 ChEMBL:175302 CiteXplore:22411291 Patent:WO2004014894 Patent:WO2006004575 Wikipedia:Dabigatran CASRN:211914-51-1 CiteXplore:22612026 Reaxys:9168207 CiteXplore:22645678
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