Account 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
- Catalog No. :
- ACVZYH291
- CAS No. :
- 1068148-46-8
- Molecular Formula :
- C39H49N3O6S
- Molecular Weight :
- 687.90
IUPAC Name:4-((Z)-2-((2E,4E)-5-(3,3-dimethyl-1-(6-oxo-6-((2-oxopyrrolidin-1-yl)oxy)hexyl)-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-(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 |
|---|---|
| IUPAC Name | 4-((Z)-2-((2E,4E)-5-(3,3-dimethyl-1-(6-oxo-6-((2-oxopyrrolidin-1-yl)oxy)hexyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate |
| MDL No. | MFCD30470670 |
| Molecular Formula | C39H49N3O6S |
| Molecular Weight | 687.90 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C=C/C=C2N(CCCCCC(ON3C(CCC3)=O)=O)C4=C(C=CC=C4)C/2(C)C)C(C)(C)C5=C1C=CC=C5)([O-])=O |
| InChI Key | GCROFUHHFYAKKQ-UHFFFAOYSA-N |
| Synonym | Cy3 SE(mono SO3);Cy3 SE(mono SO3) lipo Cy3(C4SO3) SE;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 |
| CAS No. | 1068148-46-8 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACVZYH291 Molecular Building Block Synthetic Route
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
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
2-(3-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium iodide