API0232891
Ticagrelor
Ticagrelor is a P2Y12 receptor antagonist and antiplatelet agent.
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CAS No.
274693-27-5
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Synonyms
Ticagrelor; 274693-27-5; Possia
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CHEMBL ID
CHEMBL398435
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Molecule Type
Small molecule
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Compound CID
9871419
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Molecular Weight (g/mol)
522.6
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Molecular Formula
C23H28F2N6O4S
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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
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InChIKey
OEKWJQXRCDYSHL-FNOIDJSQSA-N
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SMILES
CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
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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-(2-hydroxyethoxy)cyclopentane-1,2-diol
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Exact Mass (Da)
522.18608089
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Monoisotopic Mass (Da)
522.18608089
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