Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: Cangrelor [USAN:INN:BAN]
RN: 163706-06-7
UNII: 6AQ1Y404U7
InChIKey: PAEBIVWUMLRPSK-IDTAVKCVSA-N

Note

  • Platelet P(2T) receptor antagonist.

Molecular Formula

  • C17-H25-Cl2-F3-N5-O12-P3-S2

Molecular Weight

  • 776.3615
 

Classification Codes

  • Anti-Platelet Agent
  • Antiplatelet Agent
  • Hematologic Agents
  • Neurotransmitter Agents
  • Platelet Aggregation Inhibitors
  • Purinergic Agents
  • Purinergic Antagonists
  • Purinergic P2 Receptor Antagonists
  • Purinergic P2Y Receptor Antagonists

Names and Synonyms

Name of Substance

  • Cangrelor [USAN:INN:BAN]

Synonyms

  • (Dichloromethylene)diphosphonic N-(2-(methylsulfanyl)ethyl)-2-((3,3,3-trifluoropropyl)sulfanyl-5'-adenylic monoanhydride
  • 5'-Adenylic acid, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, monoanhydride with (dichloromethylene)bis(phosphonic acid)
  • AR-C69931XX
  • Cangrelor
  • Kengreal
  • UNII-6AQ1Y404U7

Registry Numbers

CAS Registry Number

  • 163706-06-7

FDA UNII

  • 6AQ1Y404U7

System Generated Number

  • 0163706067

Structure Descriptors

InChI

1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1

InChIKey

PAEBIVWUMLRPSK-IDTAVKCVSA-N

Smiles

CSCCNc1nc(SCCC(F)(F)F)nc2n([C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO[P@@](O[P@@](O)(=O)C(Cl)(P(O)(O)=O)Cl)(O)=O)cnc12