AT 584
1-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide
| Molecular Formula | C18H26BrCl2N5O |
|---|---|
| Molecular Weight | 479.2 g/mol |
| Topological Polar Surface Area | 30.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.0698 |
| Heavy Atoms | 27 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 16810-17-6 |
|---|---|
| SMILES | C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)N(CCCl)CCCl.[Br-] |
| InChIKey | NPZCJJUTUDMOHU-UHFFFAOYSA-M |
📖 Product Overview
AT 584 (CAS: 16810-17-6) is a chemical compound with molecular formula C18H26BrCl2N5O and molecular weight 479.2 g/mol. Its IUPAC systematic name is 1-[4-[bis(2-chloroethyl)amino]phenyl]-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide.
NPZCJJUTUDMOHU-UHFFFAOYSA-M.
SMILES: C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)N(CCCl)CCCl.[Br-].
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