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CHEBI:756065 - tolafentrine

Default Structure
ChEBI IDCHEBI:756065
ChEBI Nametolafentrine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H31N3O4S
Net Charge0
Average Mass505.640
Monoisotopic Mass505.20353
SMILES[H][C@@]12CCN(C)C[C@]1([H])c1cc(OC)c(OC)cc1C(c1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)=N2
InChIInChI=1S/C28H31N3O4S/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3/t24-,25-/m1/s1
InChIKeyFVZJIAUYFDQQKJ-JWQCQUIFSA-N
ChEBI Ontology
Outgoing Relation(s)
tolafentrine (CHEBI:756065) is a sulfonamide (CHEBI:35358)
INNs  Source
tolafentrinaWHO MedNet
tolafentrineWHO MedNet
Synonyms  Source
B-9004070ChEMBL
BY-4070ChEMBL