Ponatinib Glucuronide

Product Specifications

Synonyms

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-(4-(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamido)-2-(trifluoromethyl)benzyl)-1-methylpiperazin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate

Hazard Statement

No Data Available

Smiles

O=C(NC1=CC(C(F)(F)F)=C(CN2CC[N+](CC2)(C3O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]3O)C)C=C1)C4=CC=C(C)C(C#CC5=CN=C6N5N=CC=C6)=C4

Molecular Formula

C35 H35 F3 N6 O7

Molecular Weight

708.7

InChI

InChI=1S/C35H35F3N6O7/c1-20-5-6-22(16-21(20)8-10-25-18-39-27-4-3-11-40-43(25)27)32(48)41-24-9-7-23(26(17-24)35(36,37)38)19-42-12-14-44(2,15-13-42)33-30(47)28(45)29(46)31(51-33)34(49)50/h3-7,9,11,16-18,28-31,33,45-47H,12-15,19H2,1-2H3,(H-,41,48,49,50)/p+1