Rimegepant

CAS Registry Number®

1289023-67-1
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CAS Name

Rimegepant

Molecular Formula

C28H28F2N6O3

Molecular Mass

534.56

Cite this Page

Rimegepant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1289023-67-1 (retrieved 2024-05-29) (CAS RN: 1289023-67-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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-/m0/s1

InChIKey

InChIKey=KRNAOFGYEFKHPB-ANJVHQHFSA-N

SMILES

O=C1N(C=2C(N1)=NC=CC2)C3CCN(C(O[C@H]4C=5C([C@@H](N)[C@@H](CC4)C6=C(F)C(F)=CC=C6)=CC=CN5)=O)CC3

Canonical SMILES

O=C(OC1C2=NC=CC=C2C(N)C(C=3C=CC=C(F)C3F)CC1)N4CCC(N5C(=O)NC6=NC=CC=C65)CC4

Other Names for this Substance

  • 1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-, (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl ester
  • BMS 927711
  • Rimegepant
  • Nurtec ODT
  • Nurtec

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