Account (6-(2-carboxy-4-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl)methanesulfonate
- Catalog No. :
- ACGRCY797
- CAS No. :
- 295348-87-7
- Molecular Formula :
- C39H37N3O13S2
- Molecular Weight :
- 819.87
IUPAC Name:(6-(2-carboxy-4-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl)methanesulfonate
![(6-(2-carboxy-4-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl)methanesulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (6-(2-carboxy-4-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl)methanesulfonate |
|---|---|
| IUPAC Name | (6-(2-carboxy-4-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl)methanesulfonate |
| Molecular Formula | C39H37N3O13S2 |
| Molecular Weight | 819.87 |
| SMILES | O=C(C1=C(C2=C3C=C(C(CS(=O)(O)=O)=CC(C)(C)N4C)C4=CC3=[O+]C5=CC(N(C(C)(C)C=C6CS(=O)(O)=O)C)=C6C=C25)C=CC(C(ON7C(CCC7=O)=O)=O)=C1)[O-] |
| InChI Key | KWHCBZDWVYWWLE-UHFFFAOYSA-N |
| Synonym | TFAX 594,SE | 6-[2-Carboxy-4(5)-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]-1,2,10,11-tetrahydro-1,2,2,10,10,11-hexamethyl-4,8-bis(sulfomethyl)pyrano[3,2-g:5,6-g']diquinolin-13-ium inner salt |
| CAS No. | 295348-87-7 |
| PubChem CID | 25137945 |
Synthetic Route by SureRoute
2. ACGRCY797 Molecular Building Block Synthetic Route
5-(((2,5-Dioxopyrrolidin-1-yl)oxy)carbonyl)-2-(1,2,2,10,10,11-hexamethyl-4,8-bis(sulfomethyl)-1,2,10,11-tetrahydropyrano[3,2-g:5,6-g']diquinolin-13-ium-6-yl)benzoate
2-(1,2,2,10,10,11-Hexamethyl-4,8-bis(sulfomethyl)-1,2,10,11-tetrahydropyrano[3,2-g:5,6-g']diquinolin-13-ium-6-yl)-5-(prop-2-yn-1-ylcarbamoyl)benzoate
5-((6-Azidohexyl)carbamoyl)-2-(1,2,2,10,10,11-hexamethyl-4,8-bis(sulfomethyl)-1,2,10,11-tetrahydropyrano[3,2-g:5,6-g']diquinolin-13-ium-6-yl)benzoate