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Atogepant (Mk-8031)

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Atogepant (MK-8031) / CAS : 1374248-81-3

Appearance - UN -
HS 29420000 DG Class -
Synonyms (6S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-1-(2,2,2-Trifluoroethyl)-5-(2,3,6-Trifluorophenyl)Piperidin-3-yl]-2'-oxo-1',2',5,7-Tetrahydrospiro[Cyclopenta[b]Pyridine-6,3'-Pyrrolo[2,3-b]Pyridine]-3-Carboxamide; (S)—N-((3S,5S,6R)-6-Methyl-2-oxo-1-(2,2,2-Trifluoroethyl)-5-(2,3,6-Trifluorophenyl)Piperidin-3-yl)-2'-oxo-1',2',5,7-Tetrahydrospiro[Cyclopenta[b]Pyridine-6,3'-Pyrrolo[2,3-b]Pyridine]-3-Carboxamide; MK-8031
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Properties

Summary

Formula
C29H23F6N5O3
Molecular Mass
603.51500
Exact Mass
603.17100
PSA
104.29000
Logp
4.41470
IUPAC
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
SMILES
C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=C(C=CC(=C6F)F)F

Chemical and Physical Properties

Density
1.54±0.1 g/cm3(Predicted)
Boiling Point
693.9±55.0 °C(Predicted)

Export information

HS Code
29420000
Export Rebate
13%

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