Chemical Compound

Ubrogepant monohydrate

CAS Registry Number 1488327-13-4
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Ubrogepant monohydrate chemical structure
Primary Record

Ubrogepant monohydrate

In stock
2,783 g
Purity
99.1 %
CAS
1488327-13-4

Compound Identifiers & Properties

CAS
1488327-13-4
PubChem CID
118023163
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.O
Canonical SMILES
C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F.O

Names & Synonyms

  • Ubrogepant monohydrate
  • PL4X5AE3X4
  • UNII-PL4X5AE3X4
  • SCHEMBL16652449
  • MHMIXOHTGUOZPL-FXHBTGJVSA-N
  • 1488327-13-4
  • 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-, hydrate (1:1), (3'S)-