Description:
Ximelagatran, an ester prodrug of melagatran, with anticoagulant effect, is the first member of direct thrombin inhibitors that can be taken orally.
- Molecular Weight: 473.57
- Molecular Formula: C24H35N5O5
Purity: >98%
Canonical SMILES:
N=C(NO)C1=CC=C(CNC([C@@H]2CCN2C([C@@H](C3CCCCC3)NCC(OCC)=O)=O)=O)C=C1
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
- Melting Point: 131-133°C
- Solubility: Soluble in chloroform, and methanol.
- Appearance: White Solid
- Application: An orally active direct thrombin inhibitor; prodrug of Melagatran. Antithrombotic.
Synonyms:
H 376-95; H 376/95; H 37695; H-37695; H37695; N-[(1R)-1-Cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine Ethyl Ester; Exanta; H 376/95;
More details are to be found on supplier website
