3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate

Catalog No. :
ACAQRU746
CAS No. :
687626-25-1
Molecular Formula :
C51H54N4O20S4
Molecular Weight :
1171.27

IUPAC Name:3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate

3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate structure diagram
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Product Information

Product Name3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
IUPAC Name3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
MDL No.MFCD30470674
Molecular FormulaC51H54N4O20S4
Molecular Weight1171.27
SMILESCC1(C)C(C=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)C3=CC=C4C(S(=O)(=O)O)=CC(S(=O)(=O)O)=CC4=C3C2(C)C)=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)C2=CC=C3C(S(=O)(=O)[O-])=CC(S(=O)(=O)O)=CC3=C21
InChI KeyUSIATRQVIRQFLY-UHFFFAOYSA-N
SynonymCy3.5 DiSE(tetra SO3);Cy3.5 DiSE(tetra SO3) sulfo Cy3.5 di SE.TEA;Cyanine3.5 dise(tetra so3);3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate;3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-((1E,3E)-3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1H-benzo[e]indol-2(3H)-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate;Cy3.5 DiSE(tetra SO3) triethylamine
CAS No.687626-25-1

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACAQRU746 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. ACAQRU746 route product structure diagram
    ACAQRU746687626-25-1
Inquiry

2. ACAQRU746 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. ACAQRU746 route product structure diagram
    ACAQRU746687626-25-1
Inquiry

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