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Details

Stereochemistry ACHIRAL
Molecular Formula 2C25H25Cl2F3N4O4S.C10H8O6S2
Molecular Weight 1499.21
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-2207 HEMINAPADISYLATE

SMILES

OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.CC3=C(N=C(N3C4=CC=C(OS(=O)(=O)CCC(F)(F)F)C=C4)C5=C(Cl)C=C(Cl)C=C5)C(=O)NN6CCCCC6.CC7=C(N=C(N7C8=CC=C(OS(=O)(=O)CCC(F)(F)F)C=C8)C9=C(Cl)C=C(Cl)C=C9)C(=O)NN%10CCCCC%10

InChI

InChIKey=GVBFKVCXPMLUFE-UHFFFAOYSA-N
InChI=1S/2C25H25Cl2F3N4O4S.C10H8O6S2/c2*1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)38-39(36,37)14-11-25(28,29)30;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*5-10,15H,2-4,11-14H2,1H3,(H,32,35);1-6H,(H,11,12,13)(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C25H25Cl2F3N4O4S
Molecular Weight 605.457
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H8O6S2
Molecular Weight 288.297
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:22:39 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:39 GMT 2023
Record UNII
8BYH2Y9G4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-2207 HEMINAPADISYLATE
Code English
1,5-NAPHTHALENEDISULFONIC ACID, COMPD. WITH 4-(2-(2,4-DICHLOROPHENYL)-5-METHYL-4-((1-PIPERIDINYLAMINO)CARBONYL)-1H-IMIDAZOL-1-YL)PHENYL 3,3,3-TRIFLUORO-1-PROPANESULFONATE (1:2)
Systematic Name English
Code System Code Type Description
CAS
2022222-56-4
Created by admin on Sat Dec 16 18:22:39 GMT 2023 , Edited by admin on Sat Dec 16 18:22:39 GMT 2023
PRIMARY
FDA UNII
8BYH2Y9G4R
Created by admin on Sat Dec 16 18:22:39 GMT 2023 , Edited by admin on Sat Dec 16 18:22:39 GMT 2023
PRIMARY
PUBCHEM
163203564
Created by admin on Sat Dec 16 18:22:39 GMT 2023 , Edited by admin on Sat Dec 16 18:22:39 GMT 2023
PRIMARY
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