TL;DR: (-)-Gusperimus trihydrochloride (CAS 84937-45-1) is a chemical compound with molecular formula C17H40Cl3N7O3 and molecular weight 495.22583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide;trihydrochloride
Also Known As: Gusperimus, Gusperimus HCl, Deoxyspergualin, Deoxyspergualin trihydrochloride, Gusperimus hydrochloride
| Molecular Formula | C17H40Cl3N7O3 |
| Molecular Weight | 495.22583 g/mol |
| XLogP | -0.25 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 495.22583 Da |
| Heavy Atoms | 30 |
| Complexity | 429.0 |
| SMILES | C(CCCN=C(N)N)CCC(=O)N[C@H](C(=O)NCCCCNCCCN)O.Cl.Cl.Cl |
| InChIKey | AXSPHUWXYSZPBG-OKUPDQQSSA-N |
The XLogP value of -0.25 indicates that (-)-Gusperimus trihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting (-)-Gusperimus trihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (-)-Gusperimus trihydrochloride has 10 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (-)-Gusperimus trihydrochloride is 84937-45-1.
The molecular formula of (-)-Gusperimus trihydrochloride is C17H40Cl3N7O3.
The molecular weight of (-)-Gusperimus trihydrochloride is 495.22583 g/mol.
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