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904315-61-3,NPAB,
6-Hexadecanoylamino-4-methylumbelliferyl phosphorylcholine
C31H51N2O7P / 594.72
MFCD28399044
A substrate used for the diagnosis of Niemann–Pick A/B.
| CAS Number | 904315-61-3 |
| Product Name | 6-Hexadecanoylamino-4-methylumbelliferyl Phosphorylcholine |
| IUPAC Name | [6-(hexadecanoylamino)-4-methyl-2-oxochromen-7-yl] 2-(trimethylazaniumyl)ethyl phosphate |
| Molecular Formula | C31H51N2O7P |
| Molecular Weight | 594.73 |
| InChI | InChI=1S/C31H51N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)32-27-23-26-25(2)22-31(35)39-28(26)24-29(27)40-41(36,37)38-21-20-33(3,4)5/h22-24H,6-21H2,1-5H3,(H-,32,34,36,37) |
| InChI Key | QFILBKCHKGLJKP-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OP(=O)([O-])OCC[N+](C)(C)C |
| Synonyms | 2-[[Hydroxy[[4-methyl-2-oxo-6-[(1-oxohexadecyl)amino]-2H-1-benzopyran-7-yl]oxy]phosphinyl]oxy]-N,N,N-trimethylethanaminium Inner Salt |
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