CHEBI:90836 - cangrelor tetrasodium

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ChEBI Name cangrelor tetrasodium
ChEBI ID CHEBI:90836
Definition An organic sodium salt that is the tetrasodium salt of cangrelor. Used as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C17H21Cl2F3N5Na4O12P3S2
C17H21Cl2F3N5O12P3S2.4Na
Net Charge 0
Average Mass 864.289
Monoisotopic Mass 862.87609
InChI InChI=1S/C17H25Cl2F3N5O12P3S2.4Na/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);;;;/q;4*+1/p-4/t8-,10-,11-,14-;;;;/m1..../s1
InChIKey COWWROCHWNGJHQ-OPKBHZIBSA-J
SMILES C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P([O-])(=O)[O-])(Cl)Cl)(=O)[O-])(=O)[O-])NCCSC)SCCC(F)(F)F.[Na+].[Na+].[Na+].[Na+]
Roles Classification
Biological Role(s): P2Y12 receptor antagonist
An antagonist at the P2Y12 receptor
Application(s): platelet aggregation inhibitor
A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
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ChEBI Ontology
Outgoing cangrelor tetrasodium (CHEBI:90836) has part cangrelor(4−) (CHEBI:90843)
cangrelor tetrasodium (CHEBI:90836) has role P2Y12 receptor antagonist (CHEBI:68563)
cangrelor tetrasodium (CHEBI:90836) has role platelet aggregation inhibitor (CHEBI:50427)
cangrelor tetrasodium (CHEBI:90836) is a organic sodium salt (CHEBI:38700)
IUPAC Name
tetrasodium 5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
Brand Name Source
KENGREAL ChEBI
Manual Xrefs Databases
Cangrelor Wikipedia
D03361 KEGG DRUG
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Registry Numbers Types Sources
163706-36-3 CAS Registry Number ChemIDplus
163706-36-3 CAS Registry Number KEGG DRUG
25804270 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16845450 PubMed citation Europe PMC
26201463 PubMed citation Europe PMC
26488424 PubMed citation Europe PMC
PMC4517529 PubMed Central citation Europe PMC
Last Modified
06 January 2016