Account 5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
- Catalog No. :
- ACGEWC464
- CAS No. :
- 1250963-36-0
- Molecular Formula :
- C38H59BF2N3O4P
- Molecular Weight :
- 701.69
IUPAC Name:CLR1501
![5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide |
|---|---|
| IUPAC Name | CLR1501 |
| Molecular Formula | C38H59BF2N3O4P |
| Molecular Weight | 701.69 |
| SMILES | O=P(OCCCCCCCCCCCCCCCCCCC1=CC=C(C2=C3[N+]([B-](F)(F)N4C2=CC=C4)=CC=C3)C=C1)([O-])OCC[N+](C)(C)C |
| InChI Key | MOFPGNQNEMXVDS-UHFFFAOYSA-N |
| Synonym | CLR1501;5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide;18-(4-(5,5-difluoro-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)phenyl)octadecyl (2-(trimethylammonio)ethyl) phosphat;Boron, difluoro[2-[[hydroxy[[18-[4-[(1H-pyrrol-2-yl-κN)(2H-pyrrol-2-ylidene-κN)methyl]phenyl]octadecyl]oxy]phosphinyl]oxy]-N,N,N-trimethylethanaminiumato(2-)]-, (T-4)- |
| CAS No. | 1250963-36-0 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACGEWC464 Molecular Building Block Synthetic Route
5,5-Difluoro-10-phenyl-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
5,5-difluoro-10-(2-fluorophenyl)-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine
3,7-dibromo-5,5-difluoro-10-(p-tolyl)-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine