O-tert-butyl ticagrelor
Product Specifications
Hazard Statement
No Data Available
Smiles
CC(C)(C)OCCO[C@H]([C@H]1O)C[C@H]([C@@H]1O)N2C3=NC(SCCC)=NC(N[C@H]4[C@H](C5=CC=C(F)C(F)=C5)C4)=C3N=N2
Molecular Formula
C27H36F2N6O4S
Molecular Weight
578.68
InChI
InChI=1S/C27H36F2N6O4S/c1-5-10-40-26-31-24(30-18-12-15(18)14-6-7-16(28)17(29)11-14)21-25(32-26)35(34-33-21)19-13-20(23(37)22(19)36)38-8-9-39-27(2,3)4/h6-7,11,15,18-20,22-23,36-37H,5,8-10,12-13H2,1-4H3,(H,30,31,32)/t15-,18+,19+,20-,22-,23+/m0/s1
Additionnal Information
IUPAC name: (1S,2S,3S,5R)-3-(2-(tert-butoxy)ethoxy)-5-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2-diol
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