CK 492B
1-(1-adamantyl)-3-[N'-[3-[4-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]urea;methanesulfonic acid
| Molecular Formula | C36H66N10O8S2 |
|---|---|
| Molecular Weight | 831.1 g/mol |
| Topological Polar Surface Area | 291.0 A2 |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 830.4506 |
| Heavy Atoms | 56 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 64169-11-5 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCCN=C(N)NC(=O)NC23CC4CC(C2)CC(C4)C3)CCCN=C(N)NC(=O)NC56CC7CC(C5)CC(C7)C6 |
| InChIKey | VLHVQVUMLUZGET-UHFFFAOYSA-N |
📖 Product Overview
CK 492B (CAS: 64169-11-5) is a chemical compound with molecular formula C36H66N10O8S2 and molecular weight 831.1 g/mol. Its IUPAC systematic name is 1-(1-adamantyl)-3-[N'-[3-[4-[3-[[(1-adamantylcarbamoylamino)-aminomethylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]urea;methanesulfonic acid.
VLHVQVUMLUZGET-UHFFFAOYSA-N.
SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCCN=C(N)NC(=O)NC23CC4CC(C2)CC(C4)C3)CCCN=C(N)NC(=O)NC56CC7CC(C5)CC(C7)C6.
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