loading...| Preferred Name |
edoxaban |
|
| Synonyms |
N(1)-(5-chloropyridin-2-yl)-N(2)-{(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl}ethanediamide edoxaban DU-176 |
|
| Definitions |
A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85973 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25419685 PMID:24973057 Drug_Central:4897 PMID:25566930 PMID:25925842 PMID:25791908 PMID:25965706 Reaxys:11407476 PMID:25971288 PMID:25416564 PMID:25969414 CAS:480449-70-5 PMID:25669624 Wikipedia:Edoxaban PMID:25855704 PMID:25403645 PMID:25311731 PMID:25966665 PMID:25769361 PMID:25687352 KEGG:D09710 PMID:24911450 PMID:26019695 PMID:25653574 PMID:25596250 PMID:26011596 PMID:25769357 PMID:25809373 PMID:25732432 |
|
| definition |
A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism. |
|
| formula |
C24H30ClN7O4S |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 |
|
| has_exact_synonym |
N(1)-(5-chloropyridin-2-yl)-N(2)-{(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl}ethanediamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
edoxaban DU-176 |
|
| id |
CHEBI:85973 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1 |
|
| inchikey |
HGVDHZBSSITLCT-JLJPHGGASA-N |
|
| is conjugate base of | ||
| label |
edoxaban |
|
| mass |
548.05800 |
|
| monoisotopicmass |
547.17685 |
|
| notation |
CHEBI:85973 |
|
| prefLabel |
edoxaban |
|
| smiles |
CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46956 http://purl.obolibrary.org/obo/CHEBI_29347 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46956 http://purl.obolibrary.org/obo/CHEBI_29347 |