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CHEBI:754989 - rimegepant sulfate

Default Structure
ChEBI IDCHEBI:754989
ChEBI Namerimegepant sulfate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.H2O4S.C28H28F2N6O3.H2O.C28H28F2N6O3.H2O
Net Charge0
Average Mass1221.258
Monoisotopic Mass1220.43726
SMILESN[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)nc4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)nc4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O.O.O.O=S(=O)(O)O
InChIInChI=1S/2C28H28F2N6O3.H2O4S.3H2O/c2*29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-5(2,3)4;;;/h2*1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);(H2,1,2,3,4);3*1H2/t2*18-,22+,24-;;;;/m00..../s1
InChIKeySOGUOEZRYKUOHR-CQZKMDJHSA-N
ChEBI Ontology
Outgoing Relation(s)
rimegepant sulfate (CHEBI:754989) is a imidazopyridine (CHEBI:46908)
Synonyms  Source
Rimegepant hemisulfate sesquihydrateChEMBL
Rimegepant sulfateChEMBL
Brand Names  Source
Nurtec odtChEMBL
VyduraChEMBL