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CHEBI:748853 - regrelor disodium

Default Structure
ChEBI IDCHEBI:748853
ChEBI Nameregrelor disodium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C22H23N6O8P.Na
Net Charge0
Average Mass576.414
Monoisotopic Mass576.11104
SMILES[H][C@@]12O[C@@H](/C=C/c3ccccc3)O[C@]1([H])[C@@H](COP(=O)([O-])[O-])O[C@H]2n1cnc2c(NC(=O)NCC)ncnc21.[Na+].[Na+]
InChIInChI=1S/C22H25N6O8P.2Na/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13;;/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29);;/q;2*+1/p-2/b9-8+;;/t14-,15+,17-,18-,21-;;/m1../s1
InChIKeyMKQKPLQMNCXTJE-VEZQGTPESA-L
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)
regrelor disodium (CHEBI:748853) has role cardiovascular drug (CHEBI:35554)
regrelor disodium (CHEBI:748853) is a purine ribonucleoside monophosphate (CHEBI:26397)
Synonyms  Source
INS-50589ChEMBL
INS50589ChEMBL
Regrelor disodiumChEMBL
Citations