Account Disodium mono(2-((1E,3E)-5-((E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate)
- Catalog No. :
- ACURXY411
- CAS No. :
- 2598349-80-3
- Molecular Formula :
- C38H44N3Na2O11S2+
- Molecular Weight :
- 828.89
IUPAC Name:disodium mono(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-((1E,3E)-5-((E)-1-(2-methoxyethyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate)
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Product Information
| Product Name | Disodium mono(2-((1E,3E)-5-((E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate) |
|---|---|
| IUPAC Name | disodium mono(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-((1E,3E)-5-((E)-1-(2-methoxyethyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate) |
| Molecular Formula | C38H44N3Na2O11S2+ |
| Molecular Weight | 828.89 |
| SMILES | O=S(C1=CC2=C([N+](CCOC)=C(/C=C/C=C/C=C3N(CCCCCC(ON4C(CCC4=O)=O)=O)C5=C(C=C(S(=O)([O-])=O)C=C5)C/3(C)C)C2(C)C)C=C1)([O-])=O.[Na+].[Na+] |
| InChI Key | MNEALEVERZYVSD-UHFFFAOYSA-M |
| Synonym | 3H-Indolium, 2-[(1E,3E,5E)-5-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-(2-methoxyethyl)-3,3-dimethyl-5-sulfo-, inner salt, sodium salt (1:2) |
| CAS No. | 2598349-80-3 |
Synthetic Route by SureRoute
2. ACURXY411 Molecular Building Block Synthetic Route
2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
2-(7-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
2-(5-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate