loading...| Preferred Name |
ximelagatran |
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| Synonyms |
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| Definitions |
A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_65172 |
|
| charge |
0 |
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| definition |
A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted to the corresponding ethyl ester and in which the amidine group has been converted into the corresponding amidoxime. A prodrug for melagatran, ximelagatran was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage. |
|
| formula |
C24H35N5O5 |
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| has characteristic |
http://purl.obolibrary.org/obo/CHEBI_50249 http://purl.obolibrary.org/obo/CHEBI_65232 |
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| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 http://purl.obolibrary.org/obo/CHEBI_65232 |
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| has_functional_parent | ||
| inchi |
InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1 |
|
| inchikey |
ZXIBCJHYVWYIKI-PZJWPPBQSA-N |
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| is_tautomer_of | ||
| label |
ximelagatran |
|
| mass |
473.56520 |
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| monoisotopicmass |
473.26382 |
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| prefixIRI |
CHEBI:65172 |
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| prefLabel |
ximelagatran |
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| smiles |
[H][C@]1(CCN1C(=O)[C@H](NCC(=O)OCC)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=NO |
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| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_65234 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_140326 http://purl.obolibrary.org/obo/CHEBI_140325 |