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2435586-30-2

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2435586-30-2 Structure

2435586-30-2 Structure
IdentificationBack Directory
[Name]

1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1R,2R,3S,5R)-
[CAS]

2435586-30-2
[Synonyms]

Tigreno impurity 2
Ticagrelor Isomer 1
1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1R,2R,3S,5R)-
[Molecular Formula]

C23H28F2N6O4S
[MOL File]

2435586-30-2.mol
[Molecular Weight]

522.57
Chemical PropertiesBack Directory
[Boiling point ]

777.6±70.0 °C(Predicted)
[density ]

1.67±0.1 g/cm3(Predicted)
[pka]

13.26±0.70(Predicted)
[InChIKey]

OEKWJQXRCDYSHL-UJUAOCSNSA-N
[SMILES]

[C@H]1(O)[C@H](OCCO)C[C@H](N2C3C(N=N2)=C(N[C@@H]2C[C@H]2C2=CC=C(F)C(F)=C2)N=C(SCCC)N=3)[C@H]1O
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