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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | edoxaban tosylate | |
| Synonyms |
DU-176b Edoxaban tosilate edoxaban 4-toluenesulfonate DU 176b edoxaban p-toluenesulfonate edoxaban monotosylate 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) |
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| 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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_85975 |
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| charge |
0
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| database_cross_reference |
PMID:21446778 Wikipedia:Edoxaban CAS:480449-71-6 PMID:25855704 Reaxys:11410837 PMID:24459178 PMID:25374671 PMID:25179572 PMID:25404858
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|
| 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.
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| formula |
C31H38ClN7O7S2
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| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 |
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| 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)
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
DU-176b Edoxaban tosilate edoxaban 4-toluenesulfonate DU 176b edoxaban p-toluenesulfonate edoxaban monotosylate
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|
| id |
CHEBI:85975
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| 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
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|
| inchikey |
ZLFZITWZOYXXAW-QXXZOGQOSA-N
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|
| label |
edoxaban tosylate
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|
| mass |
720.25900
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|
| monoisotopicmass |
719.19627
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|
| notation |
CHEBI:85975
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|
| prefLabel |
edoxaban tosylate
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|
| 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
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| treeView | ||
| subClassOf |
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