Account 9-(4-((3-Carboxypropyl)(ethyl)amino)-5-(dimethylamino)-2-methoxyphenyl)-3,6-bis(dimethylamino)xanthylium chloride
- Catalog No. :
- ACBGXQ903
- CAS No. :
- 1034887-12-1
- Molecular Formula :
- C32H41ClN4O4
- Molecular Weight :
- 581.16
IUPAC Name:N-(9-(4-((3-carboxypropyl)(ethyl)amino)-5-(dimethylamino)-2-methoxyphenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene)-N-methylmethanaminium chloride
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Product Information
| Product Name | 9-(4-((3-Carboxypropyl)(ethyl)amino)-5-(dimethylamino)-2-methoxyphenyl)-3,6-bis(dimethylamino)xanthylium chloride |
|---|---|
| IUPAC Name | N-(9-(4-((3-carboxypropyl)(ethyl)amino)-5-(dimethylamino)-2-methoxyphenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene)-N-methylmethanaminium chloride |
| Molecular Formula | C32H41ClN4O4 |
| Molecular Weight | 581.16 |
| SMILES | [Cl-].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 | KYJFDSOXUCCEIY-UHFFFAOYSA-N |
| Synonym | Xanthylium, 9-[4-[(3-carboxypropyl)ethylamino]-5-(dimethylamino)-2-methoxyphenyl]-3,6-bis(dimethylamino)-, chloride (1:1);N-(9-(4-((3-carboxypropyl)(ethyl)amino)-5-(dimethylamino)-2-methoxyphenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene)-N-methylmethanaminium |
| CAS No. | 1034887-12-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACBGXQ903 Molecular Building Block Synthetic Route
4-((4-(3,6-Bis(dimethylamino)xanthylium-9-yl)-2-(dimethylamino)-5-methoxyphenyl)(ethyl)amino)butanoate
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