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Cangrelor Tetrasodium 1mg

CAT: 0628-A17919-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
163706-36-3

Chemical Information

Cangrelor Tetrasodium

Cangrelor tetrasodium is 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. It has a role as a platelet aggregation inhibitor and a P2Y12 receptor antagonist. It contains a cangrelor(4-).

CAS Number163706-36-3
PubChem CID10260031
IUPAC Nametetrasodium;[dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate
Molecular FormulaC17H21Cl2F3N5Na4O12P3S2
Molecular Weight864.3
Topological Polar Surface Area318
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count21
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity1110
SMILES
CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(C(P(=O)([O-])[O-])(Cl)Cl)[O-])O)O.[Na+].[Na+].[Na+].[Na+]
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
Chemical Structure
2D Structure
2D structure of Cangrelor Tetrasodium
CAS: 163706-36-3
CID: 10260031
Formula: C17H21Cl2F3N5Na4O12P3S2
MW: 864.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight864.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count21
Rotatable Bond Count14
Exact Mass862.8760915
Monoisotopic Mass862.8760915
Topological Polar Surface Area318 Ų
Heavy Atom Count48
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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Alternative Products

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MBS3612425-01Cangrelor tetrasodium
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