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Substance Name: Regrelor disodium [USAN]
RN: 676251-22-2
UNII: 6MU6U599QZ
InChIKey: MKQKPLQMNCXTJE-VEZQGTPESA-L

Note

  • A P2Y12 antagonist and platelet aggregation inhibitor.

Molecular Formula

  • C22-H23-N6-Na2-O8-P

Molecular Weight

  • 576.4117
 

Classification Codes

  • Inhibition of Platelet Aggregation to Prevent Thrombosis and Resulting Complications
  • Neurotransmitter Agents
  • Purinergic Agents
  • Purinergic Antagonists
  • Purinergic P2 Receptor Antagonists
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Names and Synonyms

Name of Substance

  • Regrelor disodium [USAN]

Synonyms

  • Disodium N-(ethylcarbamoyl)-2',3'-O-((1S,2E)-3-phenyl-2-propenylidene)-5'-adenylate
  • INS50589
  • Regrelor disodium
  • UNII-6MU6U599QZ

Systematic Name

  • 5'-Adenylic acid, N-((ethylamino)carbonyl)-2',3'-O-((1S,2E)-3-phenyl-2-propenylidene)-, disodium salt

Registry Numbers

CAS Registry Number

  • 676251-22-2

FDA UNII

  • 6MU6U599QZ

System Generated Number

  • 0676251222

Structure Descriptors

InChI

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

InChIKey

MKQKPLQMNCXTJE-VEZQGTPESA-L

Smiles

CCNC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)([O-])[O-])O[C@@H](O4)/C=C/c5ccccc5.[Na+].[Na+]