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Ticagrelor-[d4]

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General Information
Catalog: BLP-007442
CAS: 1265911-54-3
Molecular Formula: C23H24D4F2NO4S
Molecular Weight: 526.59

Chemical Structure

Description	Labelled Ticagrelor. Ticagrelor is a platelet aggregation inhibitor and P2Y12 receptor antagonist. It has been used for the prevention of thrombotic events like stroke or heart attack in patients with acute coronary syndrome or myocardial infarction with ST elevation.
Synonyms	(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol-D4
IUPAC Name	(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)cyclopentane-1,2-diol
Related CAS	274693-27-5 (unlabelled)
Canonical SMILES	CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)F
InChI	InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1/i5D2,6D2
InChI Key	OEKWJQXRCDYSHL-YEZHXSOWSA-N