Desmethylranitidine
1-N-methyl-1-N'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
Also Known As: Desmethyl Ranitidine|Desmethylranitidine|5-Desmethylranitidine|1,1-Ethenediamine, N-methyl-N'-(2-(((5-((methylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2-nitro-|1-N-methyl-1-N'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine|N-Methyl-N'-[2-[[[5-[(methylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine|N(1)-methyl-N'(1)-{2-[({5-[(methylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-2-nitroethene-1,1-diamine|N-[2-[[[5-(methylamino )methyl-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N-[2-[[[5-(methylamino)methyl-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine|N-Methyl-N'-[2-[[[5-[(methylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine; N-Methyl-N'-[2-[[[5-[(methylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine; Desmethylranitidine|N~1~-Methyl-N'~1~-{2-[({5-[(methylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-2-nitroethene-1,1-diamine
| Molecular Formula | C12H20N4O3S |
|---|---|
| Molecular Weight | 300.1256 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 300.1256 |
| Monoisotopic Mass | 300.1256 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 66357-25-3 |
|---|---|
| SMILES | CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC |
| InChIKey | WZLBVRXZNDXPPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desmethylranitidine (CAS 66357-25-3), with molecular formula C12H20N4O3S and molecular weight 300.1256 g/mol. IUPAC: 1-N-methyl-1-N'-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine.