Account 4-((4-(3,6-Bis(dimethylamino)xanthylium-9-yl)-2-(dimethylamino)-5-methoxyphenyl)(ethyl)amino)butanoate
- Catalog No. :
- ACQBKU449
- CAS No. :
- 1617528-10-5
- Molecular Formula :
- C32H40N4O4
- Molecular Weight :
- 544.70
IUPAC Name:4-((2-(dimethylamino)-4-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)-5-methoxyphenyl)(ethyl)amino)butanoate
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Product Information
| Product Name | 4-((4-(3,6-Bis(dimethylamino)xanthylium-9-yl)-2-(dimethylamino)-5-methoxyphenyl)(ethyl)amino)butanoate |
|---|---|
| IUPAC Name | 4-((2-(dimethylamino)-4-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)-5-methoxyphenyl)(ethyl)amino)butanoate |
| Molecular Formula | C32H40N4O4 |
| Molecular Weight | 544.70 |
| SMILES | O=C([O-])CCCN(C1=CC(OC)=C(C=C1N(C)C)C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(C)C)N(C)C)CC |
| InChI Key | BNDMEUWQIQTICO-UHFFFAOYSA-N |
| Synonym | Xanthylium, 9-[4-[(3-carboxypropyl)ethylamino]-5-(dimethylamino)-2-methoxyphenyl]-3,6-bis(dimethylamino)-, inner salt |
| CAS No. | 1617528-10-5 |
Synthetic Route by SureRoute
2. ACQBKU449 Molecular Building Block Synthetic Route
9-(4-((3-Carboxypropyl)(ethyl)amino)-5-(dimethylamino)-2-methoxyphenyl)-3,6-bis(dimethylamino)xanthylium chloride
3,6-bis(dimethylamino)-9-(5-(dimethylamino)-4-((4-((2,5-dioxopyrrolidin-1-yl)oxy)-4-oxobutyl)(ethyl)amino)-2-methoxyphenyl)xanthylium chloride
Ammonium 2,2'-((2-(2-(2-(bis(carboxylatomethyl)amino)-5-(3,6-bis(dimethylamino)xanthylium-9-yl)phenoxy)ethoxy)phenyl)azanediyl)diacetate