Account 2-(3-(4-(tert-Butyl)-7-(diethylamino)-2H-chromen-2-ylidene)prop-1-en-1-yl)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACCPWX169
- CAS No. :
- 1264737-80-5
- Molecular Formula :
- C40H49N3O8S
- Molecular Weight :
- 731.91
IUPAC Name:2-(3-(4-(tert-butyl)-7-(diethyliminio)-7H-chromen-2-yl)allylidene)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethylindoline-5-sulfonate
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Product Information
| Product Name | 2-(3-(4-(tert-Butyl)-7-(diethylamino)-2H-chromen-2-ylidene)prop-1-en-1-yl)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | 2-(3-(4-(tert-butyl)-7-(diethyliminio)-7H-chromen-2-yl)allylidene)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethylindoline-5-sulfonate |
| Molecular Formula | C40H49N3O8S |
| Molecular Weight | 731.91 |
| SMILES | O=S(C1=CC2=C([N+](CCCCCC(ON3C(CCC3=O)=O)=O)=C(C=CC=C4C=C(C(C)(C)C)C5=C(O4)C=C(N(CC)CC)C=C5)C2(C)C)C=C1)([O-])=O |
| InChI Key | MQXSXCBSCLAOBC-UHFFFAOYSA-N |
| Synonym | DY-680-NHS-ester;3H-Indolium, 2-[3-[7-(diethylamino)-4-(1,1-dimethylethyl)-2H-1-benzopyran-2-ylidene]-1-propen-1-yl]-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-3,3-dimethyl-5-sulfo-, inner salt |
| CAS No. | 1264737-80-5 |
Synthetic Route by SureRoute
2. ACCPWX169 Molecular Building Block Synthetic Route
Sodium 2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)-2-(4-sulfonatophenoxy)cyclohex-1-en-1-yl)vinyl)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
Sodium 4-((6-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)indolin-2-ylidene)ethylidene)-2-(2-(3-(4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-1-en-1-yl)oxy)benzenesulfonate
2-(2-(6-(2-(3,3-Dimethyl-5-sulfo-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)-4'-(3-((2,5-dioxopyrrolidin-1-yl)oxy)-3-oxopropyl)-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)vinyl)-3,3-dimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-5-sulfonate