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CHEBI:234515 - Ubrogepant

Default Structure
ChEBI IDCHEBI:234515
ChEBI NameUbrogepant
Stars
DefinitionAn oral CGRP (Calcitonin Gene-Related Peptide Receptor ) antagonist used in the acute treatment of migraine with or without aura.
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC29H26F3N5O3
Net Charge0
Average Mass549.553
Monoisotopic Mass549.19877
SMILESC[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
InChIInChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
InChIKeyDDOOFTLHJSMHLN-ZQHRPCGSSA-N
ChEBI Ontology
Outgoing Relation(s)
Ubrogepant (CHEBI:234515) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(6S)-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
Brand Name  Source
UbrelvySUBMITTER
Manual XrefsDatabases
D10673KEGG DRUG
DB15328DrugBank
Registry NumbersSources
CAS:1374248-77-7SUBMITTER