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

Product Code

TRC-R790340-25MG

CAS Number

2985337-95-7

Product Format

Neat

Molecular Formula

C28H28F2N6O3

Molecular Weight

534.56

Product Categories

TRC

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

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

CAS Number

2985337-95-7

Molecular Formula

C28H28F2N6O3

Molecular Weight

534.56

Accurate Mass

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

Product Data

Country of Origin

CANADA

Product Format

Neat

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