m-AMSA gluconate salt
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;2,3,4,5,6-pentahydroxyhexanoic acid
Also Known As: Amsacrine gluconate|m-AMSA gluconate salt|Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, mono-d-gluconate|D-Gluconic acid, compd. with N-(4-(9-acridinylamino)-3-methoxyphenyl)methanesulfonamide (1:1)|D-Gluconic acid, compd. with N-[4-(9-acridinylamino)-3-methoxyphenyl]methanesulfonamide (1:1)|N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide; 2,3,4,5,6-pentahydroxyhexanoic acid|N-{4-[(Acridin-9(10H)-ylidene)amino]-3-methoxyphenyl}methanesulfonamide--hexonic acid (1/1)
| Molecular Formula | C27H31N3O10S |
|---|---|
| Molecular Weight | 589.17303 g/mol |
| LogP | 1.0186 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 589.17303 |
| Monoisotopic Mass | 589.17303 |
| Heavy Atoms | 41 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 80277-07-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.C(C(C(C(C(C(=O)O)O)O)O)O)O |
| InChIKey | XXNAQBNJPZNRSZ-UHFFFAOYSA-N |
Product Overview
m-AMSA gluconate salt (CAS 80277-07-2), with molecular formula C27H31N3O10S and molecular weight 589.17303 g/mol. IUPAC: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;2,3,4,5,6-pentahydroxyhexanoic acid.