Amphis-Fe
6-[(2-aminoethylamino)methyl]-N-[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]pyridine-2-carboximidate;iron(3+);molecular oxygen
Also Known As: Amphis-Fe|Iron(II)-methyl 2-(2-aminoethyl)aminomethylpyridine-6-carboxylhistidinate|6-[(2-aminoethylamino)methyl]-N-[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]pyridine-2-carboximidate; iron(3+); molecular oxygen|Amphis-Fe; 6-[(2-Aminoethylamino)Methyl]-N-[1-(3H-Imidazol-4-Ylmethyl)-2-Methoxy-2-Oxo-Ethyl]Pyridine-2-Carboximidate|Iron(1+), (methyl N-((6-(((2-aminoethyl)amino)methyl)-2-pyridinyl)carbonyl)-L-histidinato)superoxido-, (OC-6-63)-
| Molecular Formula | C16H21FeN6O5+2 |
|---|---|
| Molecular Weight | 433.0923 g/mol |
| LogP | -1.1913 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 433.0923 |
| Monoisotopic Mass | 433.0923 |
| Heavy Atoms | 28 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 97560-58-2 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=CN1)N=C(C2=CC=CC(=N2)CNCCN)[O-].O=O.[Fe+3] |
| InChIKey | RZLRUWCGDAMEQC-UHFFFAOYSA-M |
Product Overview
Amphis-Fe (CAS 97560-58-2), with molecular formula C16H21FeN6O5+2 and molecular weight 433.0923 g/mol. IUPAC: 6-[(2-aminoethylamino)methyl]-N-[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]pyridine-2-carboximidate;iron(3+);molecular oxygen.