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cangrelor

PropertiesImageOccurences in reactions
MNX_IDMNXM45383Image of MNXM45383
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC17H25Cl2F3N5O12P3S2
charge0
mass774.94831
referencechebi:90841
InChIKeyPAEBIVWUMLRPSK-IDTAVKCVSA-N
InChIInChI=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
SMILESCSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:90841
chebi:90841 		cangrelor
5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
kegg.drug:D03359
keggD:D03359 		Cangrelor (USAN/INN)
hmdb:HMDB0240386 Cangrelor
AR C69931MX
AR-C69931MX
Cangrelor tetrasodium
Kengreal
Kengrexal
N(6)-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)-5'-adenylic acid monoanhydride with dichloromethylenebis(phosphonic acid)
[dichloro({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[2-(methylsulfanyl)ethyl]amino}-2-[(3,3,3-trifluoropropyl)sulfanyl]-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl})methyl]phosphonic acid
cangrelor
CHEBI:90843
chebi:90843 		cangrelor(4-)
5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
cangrelor tetra-anion
cangrelor tetraanion
keggD:M_D03359 secondary/obsolete/fantasy identifier