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CHEBI:757929 - pecavaptan

Default Structure
ChEBI IDCHEBI:757929
ChEBI Namepecavaptan
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H19Cl2F3N6O3
Net Charge0
Average Mass543.333
Monoisotopic Mass542.08478
SMILESC[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C22H19Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,12,17,34-35H,10-11H2,1H3/t12-,17-/m0/s1
InChIKeyAZXOTZCWQDJCLY-SJCJKPOMSA-N
Roles Classification
Application:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
pecavaptan (CHEBI:757929) has role cardiovascular drug (CHEBI:35554)
pecavaptan (CHEBI:757929) is a ring assembly (CHEBI:36820)
pecavaptan (CHEBI:757929) is a triazoles (CHEBI:35727)
INN  Source
pecavaptanWHO MedNet
Synonyms  Source
BAY 1753011ChEMBL
BAY-1753011ChEMBL