Nombre del analito

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

Número CAS

2985337-95-7

Fórmula molecular

C28H28F2N6O3

Peso molecular

534.56

Masa exacta

534.22

SMILES

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

InChI

InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m1/s1

IUPAC

(5R,6R,9S)-5-amino-6-(2,3-difluorophenyl)-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