Molecular structure from independently sourced SMILES

Rimegepant 2D structure

Role
Drug
InChIKey
KRNAOFGYEFKHPB-ANJVHQHFSA-N
Structure checked
2026-10-08
Molecular formula
C28H28F2N6O3
Structure source
PubChem
PubChem CID
51049968
InChI Key
KRNAOFGYEFKHPB-ANJVHQHFSA-N
FDA / EMA
FDA
ClinicalTrials.gov
rimegepant migraine

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

Tags

CGRPgepantacutepreventive

External IDs · BioMoa

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Editorial responsibility and corrections

Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.

Source structures
PubChem · CID / SMILES / InChIKey
Calculations and automated checks
RDKit · Morgan / SMARTS
Disclosed specialist review
No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.

For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]