Account Sodium 4-(2-(2-(2-chloro-3-(2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
- Catalog No. :
- ACEAPC904
- CAS No. :
- 172616-80-7
- Molecular Formula :
- C46H50ClN2NaO6S2
- Molecular Weight :
- 849.49
IUPAC Name:sodium 4-(2-((E)-2-((E)-2-chloro-3-((E)-2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
![Sodium 4-(2-(2-(2-chloro-3-(2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Sodium 4-(2-(2-(2-chloro-3-(2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate |
|---|---|
| IUPAC Name | sodium 4-(2-((E)-2-((E)-2-chloro-3-((E)-2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate |
| MDL No. | MFCD04038859 |
| Molecular Formula | C46H50ClN2NaO6S2 |
| Molecular Weight | 849.49 |
| SMILES | O=S(CCCC[N+]1=C(/C=C/C2=C(Cl)/C(CCC2)=C/C=C3N(CCCCS(=O)([O-])=O)C4=C(C5=CC=CC=C5C=C4)C/3(C)C)C(C)(C)C6=C1C=CC7=CC=CC=C67)([O-])=O.[Na+] |
| InChI Key | RANIQVAJHXBIAY-UHFFFAOYSA-M |
| Synonym | IR-820 | MFCD04038859 | XGA61680 | New indocyanine Green, Dye content 80% | New Indocyanine Green |
| CAS No. | 172616-80-7 |
| PubChem CID | 53249358 |
Synthetic Route by SureRoute
2. ACEAPC904 Molecular Building Block Synthetic Route
4-(2-(2-(2-Chloro-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
1H-Benz[e]indolium, 3-(3-aminopropyl)-2-[2-[2-chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-, bromide, hydrobromide
4-(2-(2-(2-Chloro-3-(2-(1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclopent-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate