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Cangrelor-[13C,d7]

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General Information
Catalog: BLP-002138
Molecular Formula: C16[13C]H18D7Cl2F3N5O12P3S2
Molecular Weight: 784.4

Chemical Structure

Description	Cangrelor-[13C,d7], is the labelled analogue of Cangrelor. Cangrelor, an adenylic acid derivative, has been found to be a P2Y12 inhibitor that could be effective in some coronary artery diseases. It is approved by FDA as an antiplatelet drug. It has been used to reduce the risk of heart attack during cardiology procedures.
Synonyms	Cangrelor 13CD7
IUPAC Name	[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[1,1,2,2-tetradeuterio-2-(trideuterio(1-13C)methylsulfanyl)ethyl]amino]-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
Related CAS	163706-06-7 (unlabelled)
Canonical SMILES	CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O
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/i1+1D3,3D2,5D2
InChI Key	PAEBIVWUMLRPSK-HSICLORGSA-N
Purity	> 98%