Account 3-(3-(5-Carboxypentyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
- Catalog No. :
- ACIYML188
- CAS No. :
- 407627-58-1
- Molecular Formula :
- C36H46N2O14S4
- Molecular Weight :
- 859.03
IUPAC Name:3-((Z)-3-(5-carboxypentyl)-2-((2E,4E)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3-methyl-5-sulfoindolin-1-yl)propane-1-sulfonate
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Product Information
| Product Name | 3-(3-(5-Carboxypentyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate |
|---|---|
| IUPAC Name | 3-((Z)-3-(5-carboxypentyl)-2-((2E,4E)-5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-3-methyl-5-sulfoindolin-1-yl)propane-1-sulfonate |
| Molecular Formula | C36H46N2O14S4 |
| Molecular Weight | 859.03 |
| SMILES | O=C(O)CCCCCC1(C=2C=C(C=CC2[N+](=C1C=CC=CC=C3N(C4=CC=C(C=C4C3(C)C)S(=O)(=O)O)CCCS(=O)(=O)O)CCCS(=O)(=O)[O-])S(=O)(=O)O)C |
| InChI Key | YZKPBELIKPDYRV-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 3-(5-carboxypentyl)-2-[5-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3-methyl-5-sulfo-1-(3-sulfopropyl)-, inner salt;OKF647(free acid);GDAF?647 |
| CAS No. | 407627-58-1 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H290-H314
- Precautionary Statement(s)
- P234-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P390-P405-P406-P501
Synthetic Route by SureRoute
2. ACIYML188 Molecular Building Block Synthetic Route
3-(3-(4-Carboxybutyl)-2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
3-(3-(5-Carboxypentyl)-2-(3-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
3-(3,3-dimethyl-2-(5-(3-methyl-3-(5-oxo-5-(prop-2-yn-1-ylamino)pentyl)-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-5-sulfoindolin-1-yl)propane-1-sulfonate