BB 40
1-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide
| Molecular Formula | C24H34BrN3O3 |
|---|---|
| Molecular Weight | 492.4 g/mol |
| Topological Polar Surface Area | 62.1 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.17834 |
| Heavy Atoms | 31 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 78109-68-9 |
|---|---|
| SMILES | CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+]3CCCCC3)CC=C.[Br-] |
| InChIKey | OTIBKFDPUXZTBX-UHFFFAOYSA-N |
📖 Product Overview
BB 40 (CAS: 78109-68-9) is a chemical compound with molecular formula C24H34BrN3O3 and molecular weight 492.4 g/mol. Its IUPAC systematic name is 1-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide.
OTIBKFDPUXZTBX-UHFFFAOYSA-N.
SMILES: CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+]3CCCCC3)CC=C.[Br-].
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