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Merck

SML1768

Sigma-Aldrich

Ximelagatran

≥98% (HPLC)

Synonym(e):

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

Empirische Formel (Hill-System):
C24H35N5O5
CAS-Nummer:
Molekulargewicht:
473.57
UNSPSC-Code:
51111800
NACRES:
NA.77

Qualitätsniveau

Assay

≥98% (HPLC)

Form

powder

Farbe

white to beige

Löslichkeit

DMSO: 20 mg/mL, clear

Lagertemp.

−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

InChIKey

ZXIBCJHYVWYIKI-PZJWPPBQSA-N

Biochem./physiol. Wirkung

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.
Ximelagatran is orally active, selective and potent direct thrombin inhibitor. Ximelagatran is a prodrug of thrombin inhibitor melagatran.

Lagerklassenschlüssel

11 - Combustible Solids

WGK

WGK 3

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable


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