Account 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
- Catalog No. :
- ACDPNW717
- CAS No. :
- 162411-34-9
- Molecular Formula :
- C41H50Br2ClN3O3S
- Molecular Weight :
- 860.20
IUPAC Name:3-(3-aminopropyl)-2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide hydrobromide
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 3-(3-aminopropyl)-2-((E)-2-((E)-2-chloro-3-(2-((E)-3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide hydrobromide |
| Molecular Formula | C41H50Br2ClN3O3S |
| Molecular Weight | 860.20 |
| SMILES | CC1(C)C(C=CC2=C(Cl)C(CCC2)=CC=C3N(CCCCS(=O)(O)=O)C4=C(C=CC=C4)C3(C)C)=[N+](CCCN)C5=C1C6=CC=CC=C6C=C5.[H]Br.[Br-] |
| InChI Key | DDZHZDNAEWSLLL-UHFFFAOYSA-N |
| Synonym | 1-(3-Aminopropyl)-4,5-benzo-11-chloro-1′-(4-sulfobutyl)-3,3,3′,3′-tetramethyl-10,12-trimethylenindotricarbocyanine bromide hydrobromide;NIR 6a |
| CAS No. | 162411-34-9 |
Synthetic Route by SureRoute
2. ACDPNW717 Molecular Building Block Synthetic Route
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
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
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