3-(5-Bromo-2-((1E,3E)-5-((E)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonate

Catalog No. :
ACJUJD837
CAS No. :
2438335-59-0
Molecular Formula :
C39H47BrN4O13S3
Molecular Weight :
955.92

IUPAC Name:3-(5-bromo-2-((1E,3E)-5-((E)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonate

3-(5-Bromo-2-((1E,3E)-5-((E)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonate structure diagram
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Product Information

Product Name3-(5-Bromo-2-((1E,3E)-5-((E)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonate
IUPAC Name3-(5-bromo-2-((1E,3E)-5-((E)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-pyrrolo[2,3-b]pyridin-7-ium-7-yl)propane-1-sulfonate
Molecular FormulaC39H47BrN4O13S3
Molecular Weight955.92
SMILESCC1(C)C(/C=C/C=C/C=C2/N(CCCS(=O)(=O)O)C3=CC=C(S(=O)(=O)O)C=C3C2(C)CCCCCC(=O)ON2C(=O)CCC2=O)=NC2=[N+](CCCS(=O)(=O)[O-])C=C(Br)C=C21
InChI KeyDWDNCUSFLUAVMI-UHFFFAOYSA-N
CAS No.2438335-59-0

Synthetic Route by SureRoute

1. ACJUJD837 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. ACJUJD837 route product structure diagram
    ACJUJD8372438335-59-0
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2. ACJUJD837 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACUAMT395 route compound structure diagram
    ACUAMT39555788-44-8 In Stock
  4. Then
  5. ACJUJD837 route product structure diagram
    ACJUJD8372438335-59-0
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