(1S,2S,3R,5S)-3-[[3-[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]-5-(propylthio)-3H-1,2,3-triazolo[4,5 - CAS 1788033-05-5

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Catalog Number: R031392

CAS Number: 1788033-05-5

PubChem Substance ID:355054283

Molecular Formula: C23H28F2N6O4S

Molecular Weight:522.572

Purity: ≥95%

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

Synonym

SynonymsTicagrelor Imp A

Property

Molecular Formula: C23H28F2N6O4S
Molecular Weight522.572
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name(1S,2S,3R,5S)-3-[[3-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-yl]amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIInChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-10-17(35-6-5-32)20(34)19(15)33)18-22(28-23)31(30-29-18)16-9-12(16)11-3-4-13(24)14(25)8-11/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
InChIKeyTUIWICWAOCUWJD-FNOIDJSQSA-N
SMILESCCCSC1=NC2=C(C(=N1)NC3CC(C(C3O)O)OCCO)N=NN2C4CC4C5=CC(=C(C=C5)F)F