loading...| Preferred Name |
edoxaban tosylate |
|
| Synonyms |
4-methylbenzene-1-sulfonic acid--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 (1/1) DU-176b Edoxaban tosilate edoxaban 4-toluenesulfonate DU 176b edoxaban p-toluenesulfonate edoxaban monotosylate |
|
| Definitions |
An organosulfonate salt obtained by combining equimolar amounts of edoxaban and 4-toluenesulfonic acid. Used (in the form of its monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85975 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21446778 Wikipedia:Edoxaban CAS:480449-71-6 PMID:25855704 Reaxys:11410837 PMID:24459178 PMID:25374671 PMID:25179572 PMID:25404858 |
|
| definition |
An organosulfonate salt obtained by combining equimolar amounts of edoxaban and 4-toluenesulfonic acid. Used (in the form of its monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism. |
|
| formula |
C31H38ClN7O7S2 |
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 |
|
| has_exact_synonym |
4-methylbenzene-1-sulfonic acid--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 (1/1) |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
DU-176b Edoxaban tosilate edoxaban 4-toluenesulfonate DU 176b edoxaban p-toluenesulfonate edoxaban monotosylate |
|
| id |
CHEBI:85975 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H30ClN7O4S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);2-5H,1H3,(H,8,9,10)/t13-,15-,17+;/m0./s1 |
|
| inchikey |
ZLFZITWZOYXXAW-QXXZOGQOSA-N |
|
| label |
edoxaban tosylate |
|
| mass |
720.25900 |
|
| monoisotopicmass |
719.19627 |
|
| notation |
CHEBI:85975 |
|
| prefLabel |
edoxaban tosylate |
|
| smiles |
Cc1ccc(cc1)S(O)(=O)=O.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 | ||
| subClassOf |