loading...| Preferred Name |
cangrelor |
|
| Synonyms |
5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine cangrelor |
|
| Definitions |
A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90841 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25123696 PMID:26283269 PMID:24762247 PMID:24057605 PMID:25089928 PMID:25728292 PMID:25728646 PMID:24879371 PMID:25703887 Wikipedia:Cangrelor PMID:24192670 PMID:25785060 PMID:24285121 Drug_Central:5006 PMID:26680584 PMID:26201463 PMID:24080586 PMID:26400827 PMID:26024789 PMID:24393016 KEGG:D03359 PMID:24630878 PMID:24479981 Reaxys:8303713 PMID:26270719 PMID:26444255 PMID:24656538 PMID:26381736 CAS:163706-06-7 |
|
| definition |
A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. |
|
| formula |
C17H25Cl2F3N5O12P3S2 |
|
| has role | ||
| has_exact_synonym |
5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
cangrelor |
|
| id |
CHEBI:90841 |
|
| in_subset | ||
| 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)/t8-,10-,11-,14-/m1/s1 |
|
| inchikey |
PAEBIVWUMLRPSK-IDTAVKCVSA-N |
|
| is conjugate acid of | ||
| label |
cangrelor |
|
| mass |
776.362 |
|
| monoisotopicmass |
774.94831 |
|
| notation |
CHEBI:90841 |
|
| prefLabel |
cangrelor |
|
| 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 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_37413 http://purl.obolibrary.org/obo/CHEBI_36683 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_37413 http://purl.obolibrary.org/obo/CHEBI_36683 |