Products 192939-46-1
CAS 192939-46-1 appears in our catalog under these names: Ximelagatran, Ximelagatran, >95% (HPLC), Ximelagatran/ 98.09% (existing batch purity), Ximelagatran 97%, Ethyl ((R)-1-cyclohexyl-2-((S)-2-((4-(N-hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl)-2-oxoethyl)glycinate, 97%, 97%. Offered by: GLPBio, TRC, TargetMol, Biosynth, Ambeed. Available pack sizes: 1mg, 0,5mg, 10mg, 2,5mg, 2mg, 5mg, 25mg, 50mg.
Ximelagatran is 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was the first orally available direct thrombin inhibitor to be brought to market as an anticoagulant, but was withdrawn in 2006 following reports of it causing liver damage. It has a role as an anticoagulant, a prodrug, a serine protease inhibitor and an EC 3.4.21.5 (thrombin) inhibitor. It is a secondary carboxamide, a tertiary carboxamide, an ethyl ester, a carboxamide, a member of azetidines, a secondary amino compound and an amidoxime. It is functionally related to a melagatran. It is a tautomer of a ximelagatran (hydroxylamine form).
Source: ChEBI
| Molecular formula | C24H35N5O5 |
|---|---|
| Molecular weight | 473.6 g/mol |
| IUPAC name | ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate |
| InChIKey | ZXIBCJHYVWYIKI-PZJWPPBQSA-N |
| SMILES | CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N |
Computed by PubChem (NCBI)