Substance

ID:1841680

Names and Identifiers
Synonyms
ximelagatranExantaExartaH 376-95H 376/95H 37695ethyl 2-[[(1R)-1-cyclohexyl-2- [(2S)-2-[[4-(N'-hydroxycarbamimidoyl) phenyl]methylcarbamoyl]azetidin-1-yl]- 2-oxo-ethyl]amino]acetateximelagatran (oxime form)
International Nonproprietary Name (INN)
ximelagatranximelagatranum
IUPAC name
ethyl 2-{[(1R)-1-cyclohexyl-2-[(2S)-2-({[4-(N'-hydroxycarbamimidoyl)phenyl]methyl}carbamoyl)azetidin-1-yl]-2-oxoethyl]amino}acetate
IUPAC Traditional name
ethyl 2-{[(1R)-1-cyclohexyl-2-[(2S)-2-({[4-(N'-hydroxycarbamimidoyl)phenyl]methyl}carbamoyl)azetidin-1-yl]-2-oxoethyl]amino}acetate
Registration numbers
PubChem CID
9574101
CAS Number
192939-46-1
Reaxys Registry
14559655
ACToR Database
192939-46-1
BKMS React Database
16747175362
BRENDA Ligand Database
75362167471
CompTox Database
DTXSID5049075
MetaboLights Database
MTBLS591MTBLS2871MTBLS1693
Wikipedia Title
Ximelagatran
GeneOntology Database
GO:0036288
DrugBank ID
DB04898
Drug Central Database
2,852
BindingDB Database
50505290
KEGG DRUG Database
D01981
CHEBI ID
CHEBI:65172
PubChem SID
160645186
Properties
No Data Available
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Molecule Details
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was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage.
Molecular Spectra
No Data Available
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References
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