Account Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
- Catalog No. :
- ACQOWP420
- CAS No. :
- 1088919-86-1
- Molecular Formula :
- C46H50N2Na4O15S4
- Molecular Weight :
- 1091.13
IUPAC Name:sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate
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Product Information
| Product Name | Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate |
|---|---|
| IUPAC Name | sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate |
| MDL No. | MFCD35453221 |
| Molecular Formula | C46H50N2Na4O15S4 |
| Molecular Weight | 1091.13 |
| SMILES | O=S(CCCC[N+]1=C(C=CC2=C(OC3=CC=C(S(=O)([O-])=O)C=C3)C(CCC2)=CC=C4N(CCCCCC([O-])=O)C5=C(C=C(S(=O)([O-])=O)C=C5)C4(C)C)C(C)(C)C6=C1C=CC(S(=O)([O-])=O)=C6)([O-])=O.[Na+].[Na+].[Na+].[Na+] |
| InChI Key | BFPWPNIEGFGULK-UHFFFAOYSA-J |
| Synonym | 800CW acid (IRDye 800CW acid equivalent);800CW acid;IRDye 800CW Carboxylic acid;Sodium 6-(2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfonatoindolin-1-yl)hexanoate;IRDye 800CW acid |
| CAS No. | 1088919-86-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACQOWP420 Molecular Building Block Synthetic Route
Nerindocianine
Potassium 2-((E)-2-((E)-2-(4-(4-carboxybutanamido)phenoxy)-3-(2-((E)-1-(hex-5-yn-1-yl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-(hex-5-yn-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
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