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Rimegepant

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Rimegepant / CAS : 1289023-67-1

Appearance - UN -
HS - DG Class -
Synonyms (5S,6S,9R)-5-Nitro-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; [(5S,6S,9R)-5-Amino-6-(2,3-Difluorophenyl)-6,7,8,9-Tetrahydro-5H-Cyclohepta[b]Pyridin-9-yl] 4-(2-oxo-3H-Imidazo[4,5-b]Pyridin-1-yl)Piperidine-1-Carboxylate; (5S,6S,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
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Properties

Summary

Formula
C28H28F2N6O3
Molecular Mass
534.55700
Exact Mass
534.21900
PSA
119.39000
Logp
5.54050
IUPAC
[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
SMILES
C1C[C@H](C2=C(C=CC=N2)[C@H]([C@@H]1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Immune System Medication

Chemical and Physical Properties

Density
1.45±0.1 g/cm3(Predicted)

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