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Atecegatran-[d6]

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General Information
Catalog: BLP-003357
Molecular Formula: C21H15D6ClF2N4O4
Molecular Weight: 472.90

Chemical Structure

Description	Atecegatran-[d6] is a labelled Atecegatran, a thrombin inhibitor that is an active metabolite of atecegatran metoxil (atecegatran fexenetil and AZD0837). AZD0837 is under development for the prevention of stroke and systemic embolism in patients with non-valvular atrial fibrillation.
Synonyms	(2S)-N-{[4-carbamimidoyl(D4)phenyl](D2)methyl}-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide; [2H6]-AR-H 067637
IUPAC Name	(2S)-N-[(4-carbamimidoyl-2,3,5,6-tetradeuteriophenyl)-dideuteriomethyl]-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide
Related CAS	917904-13-3 (unlabelled)
Canonical SMILES	C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(C3=CC(=CC(=C3)Cl)OC(F)F)O
InChI	InChI=1S/C21H21ClF2N4O4/c22-14-7-13(8-15(9-14)32-21(23)24)17(29)20(31)28-6-5-16(28)19(30)27-10-11-1-3-12(4-2-11)18(25)26/h1-4,7-9,16-17,21,29H,5-6,10H2,(H3,25,26)(H,27,30)/t16-,17+/m0/s1/i1D,2D,3D,4D,10D2
InChI Key	QTUUCFVBSVJGOH-QTFJXACESA-N