IR-58

Catalog No. :
ACTOFS168
CAS No. :
2374274-85-6
Molecular Formula :
C58H82BrClN4O6
Molecular Weight :
1046.67

IUPAC Name:2-(2-(2-chloro-3-(2-(1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethyl-3H-indol-1-ium bromide

IR-58 structure diagram
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Product Information

Product NameIR-58
IUPAC Name2-(2-(2-chloro-3-(2-(1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(11-((2-methoxy-2-oxoethyl)amino)-11-oxoundecyl)-3,3-dimethyl-3H-indol-1-ium bromide
Molecular FormulaC58H82BrClN4O6
Molecular Weight1046.67
SMILESCOC(=O)CNC(=O)CCCCCCCCCCN1C(=CC=C2CCCC(C=CC3=[N+](CCCCCCCCCCC(=O)NCC(=O)OC)C4=CC=CC=C4C3(C)C)=C2Cl)C(C)(C)C2=CC=CC=C21.[Br-]
InChI KeyBMRWNJCATBASDR-UHFFFAOYSA-N
CAS No.2374274-85-6

Synthetic Route by SureRoute

1. ACTOFS168 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACTOFS168 route product structure diagram
    ACTOFS1682374274-85-6
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2. ACTOFS168 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACTOFS168 route product structure diagram
    ACTOFS1682374274-85-6
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