Ticagrelor Sulfone - CAS 274693-39-9

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Catalog Number: R015043

CAS Number: 274693-39-9

PubChem Substance ID:355430376

Molecular Formula: C23H28F2N6O6S

Molecular Weight:554.57

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsTicagrelor Impurity M; (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylsulfonyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Property

Molecular Formula: C23H28F2N6O6S
Molecular Weight554.57
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfonyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIInChI=1S/C23H28F2N6O6S/c1-2-7-38(35,36)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(37-6-5-32)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
InChIKeyLRDWQLSHMNMZAJ-FNOIDJSQSA-N
SMILESCCCS(=O)(=O)C1=NC2=C(C(=N1)NC3CC3C4=CC(=C(C=C4)F)F)N=NN2C5CC(C(C5O)O)OCCO