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CHEBI:758221 - runcaciguat

Default Structure
ChEBI IDCHEBI:758221
ChEBI Nameruncaciguat
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H22Cl2F3NO3
Net Charge0
Average Mass488.333
Monoisotopic Mass487.09288
SMILES[H][C@@](C(=O)Nc1cc([C@@H](CC(=O)O)C2CC2)ccc1Cl)(c1ccc(Cl)cc1)[C@@H](C)C(F)(F)F
InChIInChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1
InChIKeyNCRMKIWHFXSBGZ-CNBXIYLPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
runcaciguat (CHEBI:758221) is a benzenes (CHEBI:22712)
runcaciguat (CHEBI:758221) is a monocarboxylic acid (CHEBI:25384)
INN  Source
runcaciguatWHO MedNet
Citations