Account Nerindocianine
- Catalog No. :
- ACQEEB081
- CAS No. :
- 748120-01-6
- Molecular Formula :
- C44H52N2O16S5
- Molecular Weight :
- 1025.23
IUPAC Name:4-((Z)-2-((E)-2-(3-((E)-2-(3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfoindolin-1-yl)butane-1-sulfonate
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Product Information
| Product Name | Nerindocianine |
|---|---|
| IUPAC Name | 4-((Z)-2-((E)-2-(3-((E)-2-(3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-3H-indol-1-ium-2-yl)vinyl)-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethyl-5-sulfoindolin-1-yl)butane-1-sulfonate |
| Molecular Formula | C44H52N2O16S5 |
| Molecular Weight | 1025.23 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C2=C(OC3=CC=C(S(=O)(O)=O)C=C3)/C(CCC2)=C/C=C4N(CCCCS(=O)(O)=O)C5=C(C=C(S(=O)(O)=O)C=C5)C/4(C)C)C(C)(C)C6=C1C=CC(S(=O)(O)=O)=C6)([O-])=O |
| InChI Key | FRMYEKPWHJAHIO-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 2-[2-[3-[2-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-2-(4-sulfophenoxy)-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-, inner salt;Nerindocianine |
| CAS No. | 748120-01-6 |
Synthetic Route by SureRoute
2. ACQEEB081 Molecular Building Block Synthetic Route
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
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