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Chemical structure of Ximelagatran

GC38332

Ximelagatran

Also known as ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate

A prodrug of melagatran, a thrombin inhibitor

ChemicalCAS192939-46-1MW473.57FormulaC24H35N5O5
CAS number
192939-46-1
Molecular weight
473.57
Formula
C24H35N5O5
Solubility
DMSO： 250 mg/mL (527·91 mM); Methanol： 62·5 mg/mL (131·98 mM)
InChIKey
ZXIBCJHYVWYIKI-PZJWPPBQSA-N
Catalogue number
GC38332
Brand
GLPBIO
Computed properties PubChem CID 656635 · XLogP 2.2 · TPSA 146 Ų · H-bond donors 4
XLogP
2.2
TPSA
146 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
34

SMILES CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=NO)N

Computed descriptors from PubChem (CID 656635), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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