Account 4-(2-(5-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
- Catalog No. :
- ACRISW517
- CAS No. :
- 400051-84-5
- Molecular Formula :
- C39H47N3O7S
- Molecular Weight :
- 701.89
IUPAC Name:4-((E)-2-((2E,4E)-5-(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | 4-(2-(5-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | 4-((E)-2-((2E,4E)-5-(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
| MDL No. | MFCD29904604 |
| Molecular Formula | C39H47N3O7S |
| Molecular Weight | 701.89 |
| SMILES | CC1(C)C(/C=C/C=C/C=C2N(CCCCS(=O)([O-])=O)C3=C(C=CC=C3)C/2(C)C)=[N+](CCCCCC(ON4C(CCC4=O)=O)=O)C5=C1C=CC=C5 |
| InChI Key | BMICCHYLJBUIFT-UHFFFAOYSA-N |
| Synonym | Cy5 SE(mono SO3);S0536;Cy5 SE（mono SO3） lipo Cy5(C4SO3) SE;4-((e)-2-((2e,4e)-5-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3h-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate;4-(2-(5-(1-(6-((2，5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3，3-dimethyl-3H-indol-1-ium-2-yl)penta-2，4-dien-1-ylidene)-3，3-dimethylindolin-1-yl)butane-1-sulfonate |
| CAS No. | 400051-84-5 |
| PubChem CID | 118705408 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACRISW517 Molecular Building Block Synthetic Route
4-(2-(5-(3,3-Dimethyl-1-(6-oxo-6-((2-oxopyrrolidin-1-yl)oxy)hexyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-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
2-(5-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium chloride