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1788033-05-5

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1788033-05-5 Structure

1788033-05-5 Structure
IdentificationBack Directory
[Name]

Ticagrelor Sulphone
[CAS]

1788033-05-5
[Synonyms]

Ticagrelor-5
Tigrelo Impurity E
Ticagrelor Sulphone
Ticagrelor Triazole Isomer
Ticagrelor Related Compound 41
(1S,2S,3R,5S)-3-[[3-[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]-5-(propylthio)-3H-1,2,3-triazolo[4,5
(1S,2S,3R,5S)-3-((3-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)- 5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-5- (2-hydroxyethoxy)cyc
(1S,2S,3R,5S)-3-((3-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amino)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
1,2-Cyclopentanediol, 3-[[3-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]amino]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-
N-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)-N-(3-((1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)nitrous amide
Ticagrelor impurity 8/Ticagrelor Triazole Isomer/(1S,2S,3R,5S)-3-[[3-[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]amino]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
[Molecular Formula]

C23H28F2N6O4S
[MDL Number]

MFCD30747242
[MOL File]

1788033-05-5.mol
[Molecular Weight]

522.57
Chemical PropertiesBack Directory
[Boiling point ]

777.6±70.0 °C(Predicted)
[density ]

1.67±0.1 g/cm3(Predicted)
[solubility ]

Methanol (Slightly)
[form ]

Solid
[pka]

13?+-.0.70(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical
[InChIKey]

TUIWICWAOCUWJD-FNOIDJSQSA-N
[SMILES]

[C@@H]1(O)[C@@H](OCCO)C[C@@H](NC2N=C(SCCC)N=C3N([C@@H]4C[C@H]4C4=CC=C(F)C(F)=C4)N=NC3=2)[C@@H]1O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(1S,2S,3R,5S)-3-[[3-[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]amino]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol is an impurity of Ticagrelor (T437700) which is an anticoagulant used in the treatment of acute coronary syndromes.
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