Source:http://linkedlifedata.com/resource/chebi/id/CHEBI:65172
| Predicate | Object |
|---|---|
| rdf:type | |
| skos:definition |
"A member of the class of azetidines that is (2S)-azetidine 2-carboxylic acid in which the hydrogen attached to the nitrogen is replaced by a (2R)-2-cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]acetyl group and in which the carboxylic acid has been converted to the amide corresponding to formal condensation with 4-(aminomethyl)-N'-hydroxybenzenecarboximidamide. 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was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage." []
|
| skos:inScheme | |
| skos:prefLabel |
ximelagatran
|
| skos:altLabel |
ethyl N-{(1R)-1-cyclohexyl-2-[(2S)-2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}azetidin-1-yl]-2-oxoethyl}glycinate
|
| skos:notation |
ChemIDplus:192939-46-1 "CAS Registry Number",
CiteXplore:16084146 "PubMed citation",
CiteXplore:16511607 "PubMed citation",
CiteXplore:17319469 "PubMed citation",
CiteXplore:17636192 "PubMed citation",
CiteXplore:19028773 "PubMed citation",
CiteXplore:20020269 "PubMed citation",
KEGG DRUG:192939-46-1 "CAS Registry Number",
Reaxys:14559655 "Reaxys Registry Number",
SUBMITTER:D01981 "KEGG DRUG",
SUBMITTER:DB04898 "DrugBank",
Wikipedia:Ximelagatran "Wikipedia"
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| skos:broader | |
| skos:relatedSynonym |
ximelagatran,
ethyl 2-[[(1R)-1-cyclohexyl-2- [(2S)-2-[[4-(N'-hydroxycarbamimidoyl) phenyl]methylcarbamoyl]azetidin-1-yl]- 2-oxo-ethyl]amino]acetate,
Exarta,
H 376/95,
H 376-95,
H 37695,
Exanta,
ximelagatranum,
C24H35N5O5,
[H][C@]1(CCN1C(=O)[C@H](NCC(=O)OCC)C1CCCCC1)C(=O)NCc1ccc(cc1)C(N)=NO,
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
|