Nombre del analito

3-Desfluoro-(5R,6R,9S)-Rimegepant

Fórmula molecular

C28H29FN6O3

Peso molecular

516.58

Masa exacta

516.23

SMILES

O=C1N(C2CCN(CC2)C(O[C@@H]3C4=NC=CC=C4[C@@H]([C@@H](C5=C(C=CC=C5)F)CC3)N)=O)C6=CC=CN=C6N1

InChI

InChI=1S/C28H29FN6O3/c29-21-7-2-1-5-18(21)19-9-10-23(25-20(24(19)30)6-3-13-31-25)38-28(37)34-15-11-17(12-16-34)35-22-8-4-14-32-26(22)33-27(35)36/h1-8,13-14,17,19,23-24H,9-12,15-16,30H2,(H,32,33,36)/t19-,23+,24-/m1/s1

IUPAC

(5R,6R,9S)-5-Amino-6-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

País de origen

CANADA

Formato del producto

Neat