SML1768
Ximelagatran
≥98% (HPLC), Thrombin inhibitor, powder
Synonym(s):
H 376/95, N-[(1R)-1-Cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]-glycine ethyl ester
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About This Item
Empirical Formula (Hill Notation):
C24H35N5O5
CAS Number:
Molecular Weight:
473.57
UNSPSC Code:
51111800
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
Product Name
Ximelagatran, ≥98% (HPLC)
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 20 mg/mL, clear
storage temp.
−20°C
SMILES string
N/C(C1=CC=C(CNC([C@@H]2CCN2C([C@@H](C3CCCCC3)NCC(OCC)=O)=O)=O)C=C1)=N/O
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
InChI key
ZXIBCJHYVWYIKI-PZJWPPBQSA-N
Biochem/physiol Actions
It inhibits both clot-bound and free thrombin. It is quickly absorbed by the small intestine and converted to its active dipeptide drug form, Melagatran. Melagatran associates with the arginine side pocket in thrombin and inactivates it. Ximelagatran has a half-life of 4-5 hours. It is administered orally twice a day.
Orally active direct thrombin inhibitor; prodrug of melagatran.
Ximelagatran is orally active, selective and potent direct thrombin inhibitor. Ximelagatran is a prodrug of thrombin inhibitor melagatran.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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