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CHEBI:756572 - rodatristat ethyl

Default Structure
ChEBI IDCHEBI:756572
ChEBI Namerodatristat ethyl
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H31ClF3N5O3
Net Charge0
Average Mass590.046
Monoisotopic Mass589.20675
SMILESCCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(Cl)cc4-c4ccccc4)C(F)(F)F)nc(N)n3)CC2)CN1
InChIInChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7-18/h3-9,14-15,22,25,35H,2,10-13,16-17H2,1H3,(H2,34,36,37)/t22-,25+/m0/s1
InChIKeyTZSZZENYCISATO-WIOPSUGQSA-N
Roles Classification
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
rodatristat ethyl (CHEBI:756572) has role antihypertensive agent (CHEBI:35674)
rodatristat ethyl (CHEBI:756572) is a biphenyls (CHEBI:22888)
rodatristat ethyl (CHEBI:756572) is a organochlorine compound (CHEBI:36683)
Synonyms  Source
KAR-5585ChEMBL
KAR5585ChEMBL
Rodatristat ethylChEMBL
Citations