Account 2-(5-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium chloride
- Catalog No. :
- ACJWUW295
- CAS No. :
- 2054318-82-8
- Molecular Formula :
- C44H46ClN3O4
- Molecular Weight :
- 716.32
IUPAC Name:2-((1E,3E,5E)-5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium chloride
![2-(5-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium chloride structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-(5-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium chloride |
|---|---|
| IUPAC Name | 2-((1E,3E,5E)-5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium chloride |
| Molecular Formula | C44H46ClN3O4 |
| Molecular Weight | 716.32 |
| SMILES | C[N+]1=C(/C=C/C=C/C=C2N(CCCCCC(ON3C(CCC3=O)=O)=O)C4=C(C5=CC=CC=C5C=C4)C/2(C)C)C(C)(C)C6=C1C=CC7=CC=CC=C67.[Cl-] |
| InChI Key | SWLMDNMICOSZPR-UHFFFAOYSA-M |
| Synonym | Cyanine5.5 NHS ester;Cy5.5 NHS Este |
| CAS No. | 2054318-82-8 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACJWUW295 Molecular Building Block Synthetic Route
3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-2-(5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium chloride
2-(5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium tetrafluoroborate
3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-2-(5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium tetrafluoroborate