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4-(2-(7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate

Catalog No. :
ACNXQS214
CAS No. :
1622335-40-3
Molecular Formula :
C49H53N3O7S
Molecular Weight :
828.04

IUPAC Name:4-((Z)-2-((2E,4E,6E)-7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate

4-(2-(7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate structure diagram
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Product Information

Product Name4-(2-(7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
IUPAC Name4-((Z)-2-((2E,4E,6E)-7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
Molecular FormulaC49H53N3O7S
Molecular Weight828.04
SMILESO=C(CCCCC[N+]1=C(C=CC=CC=CC=C2N(CCCCS(=O)([O-])=O)C3=C(C2(C)C)C4=C(C=CC=C4)C=C3)C(C)(C)C5=C1C=CC6=C5C=CC=C6)ON7C(CCC7=O)=O
InChI KeyKDJUNNVUQBKNAY-UHFFFAOYSA-N
SynonymICG-NHS(mono-sulfo-cy7.5 NHS);CG-NHS(MONO-SULFO-CY7.5 NHS);4-(2-((1E,3E,5E,7E)-7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate;lipo Cy7.5(C4 SO3) SE ICG NHS;4-(2-(7-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate;Cy7.5 SE(mono SO3)
CAS No.1622335-40-3

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H315-H319
Precautionary Statement(s)
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

Synthetic Route by SureRoute

1. ACNXQS214 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACNXQS214 route product structure diagram
    ACNXQS2141622335-40-3 In Stock
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2. ACNXQS214 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACPOQL635 route compound structure diagram
    ACPOQL6356066-82-6 In Stock
  4. Then
  5. ACNXQS214 route product structure diagram
    ACNXQS2141622335-40-3 In Stock
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