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Ubrogepant

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Ubrogepant / CAS : 1374248-77-7

Appearance - UN -
HS - DG Class -
Synonyms Spiro(6H-Cyclopenta(b)Pyridine-6,3'-(3H)Pyrrolo(2,3-b)Pyridine)-3-Carboxamide,1',2',5,7-Tetrahydro-N-((3S,5S,6R)-6-Methyl-2-oxo-5-Phenyl-1-(2,2,2-Trifluoroethyl)-3-Piperidinyl)-2'-oxo-,(3'S); Ubrogepant [USAN](3S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-5-Phenyl-1-(2,2,2-Trifluoroethyl)Piperidin-3-yl]-2-Oxospiro[1H-Pyrrolo[2,3-b]Pyridine-3,6'-5,7-Dihydrocyclopenta[b]Pyridine]-3'-Carboxamide; (3'S)-N-((3S,5S,6R)-6-Methyl-2-oxo-5-Phenyl-1-(2,2,2-Trifluoroethyl)Piperidin-3-yl)-2'-oxo-1',2',5,7-Tetrahydrospiro(Cyclopenta(b)Pyridine-6,3'-Pyrrolo(2,3-b)Pyridine)-3-Carboxamide
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Properties

Summary

Formula
C29H26F3N5O3
Molecular Mass
547.52800
Exact Mass
547.18300
PSA
104.29000
Logp
2.47340
IUPAC
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)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=CC=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)
Boiling Point
729.4±60.0 °C(Predicted)

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