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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H24Cl2F3N6O13P3S2
Molecular Weight 805.357
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-cangrelor

SMILES

CSCCN(N=O)C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1

InChI

InChIKey=DCCHZGLUTSSAEQ-IDTAVKCVSA-N
InChI=1S/C17H24Cl2F3N6O13P3S2/c1-45-5-3-28(26-31)13-9-12(24-15(25-13)46-4-2-16(20,21)22)27(7-23-9)14-11(30)10(29)8(40-14)6-39-44(37,38)41-43(35,36)17(18,19)42(32,33)34/h7-8,10-11,14,29-30H,2-6H2,1H3,(H,35,36)(H,37,38)(H2,32,33,34)/t8-,10-,11-,14-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-nitroso-cangrelor
Preferred Name English
Code System Code Type Description
FDA UNII
V2KTP2DY2E
Created by admin on Wed Apr 02 18:23:02 GMT 2025 , Edited by admin on Wed Apr 02 18:23:02 GMT 2025
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