(5R,6R)-Rimegepant

Analytenname

(5R,6R)-Rimegepant

Molekularformel

C28H28F2N6O3

Molekulargewicht

534.56

Genaue Masse

534.22

SMILES

O=C(O[C@@H]1CC[C@@H]([C@H](C2=CC=CN=C21)N)C3=CC=CC(F)=C3F)N4CCC(CC4)N5C6=CC=CN=C6NC5=O

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,9R)-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

Herkunftsland

CANADA

Produktformat

Neat