AC1MIL6Q
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
Also Known As: Methanesulfonanilide, 3'-methoxy-4'-(4-(alpha-D-1-O-methyl-glucopyranosid-2-ylcarbamoyl)-9-acridinylamino)-, hydrochloride|Methyl 2-deoxy-2-{9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamido}-alpha-D-glucopyranoside--hydrogen chloride (1/1)|N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide hydrochloride
| Molecular Formula | C29H33ClN4O9S |
|---|---|
| Molecular Weight | 648.16565 g/mol |
| LogP | 2.1173 |
| Topological Polar Surface Area | 188.57 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 648.16565 |
| Monoisotopic Mass | 648.16565 |
| Heavy Atoms | 44 |
| Complexity | 1773.1228 |
Chemical Identifiers
| CAS Number | 63178-55-2 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=C(C=C(C=C5)NS(=O)(=O)C)OC.Cl |
Product Overview
AC1MIL6Q (CAS 63178-55-2), with molecular formula C29H33ClN4O9S and molecular weight 648.16565 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride.