Atogepant-D4 (major)
Product Specifications
Hazard Statement
No Data Available
Smiles
O=C1[C@]2(C([2H])([2H])C3=CC(C(N[C@H]4C[C@@H](C5=C(C(F)=CC=C5F)F)[C@H](N(C4=O)CC(F)(F)F)C)=O)=CN=C3C2([2H])[2H])C6=CC=CN=C6N1
Molecular Formula
C29H19D4F6N5O3
Molecular Weight
607.55
InChI
InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1/i9D2,10D2
Additionnal Information
IUPAC name: (S)-N-((3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-5,5,7,7-d4-3-carboxamide
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