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cangrelor(4-)

CHEBI:CHEBI_90843

Definition

An organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of cangrelor.

Chemical Information

Molecular Formula
C17H21Cl2F3N5O12P3S2
Molecular Mass
772.330
Charge
-4
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
InChI
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)/p-4/t8-,10-,11-,14-/m1/s1
InChIKey
PAEBIVWUMLRPSK-IDTAVKCVSA-J

Alternative Names

  • 5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
  • cangrelor tetra-anion
  • cangrelor tetraanion

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:90843
oboInOwl#hasDbXref
Reaxys:24729035

Additional References

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Additional Attributes

chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_90841
owl#annotatedSource
t317856
owl#someValuesFrom
t316940
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:90843
core#notation
CHEBI:90843
oboInOwl#hasDbXref
Reaxys:24729035
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_90841
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class