| CAS Number | 1781882-65-2 |
| Catalog Number | AG01EOPE(AGN-PC-3H46GO) |
| Chemical Name | Pyridostatin hydrochloride |
| IUPAC Name | 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;pentahydrochloride |
| InChI | InChI=1S/C31H32N8O5.5ClH/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29;;;;;/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41);5*1H |
| InChI Key | SRIZPFGTXSQRFM-UHFFFAOYSA-N |
| MDL Number | MFCD28411715 |
| Molecular Formula | C31H37Cl5N8O5 |
| Molecular Weight | 778.9411 |
| SMILES | Cl.Cl.Cl.Cl.Cl.NCCOC1=CC(=NC(=C1)C(=O)NC1=NC2=CC=CC=C2C(=C1)OCCN)C(=O)NC1=NC2=CC=CC=C2C(=C1)OCCN |
| Synonyms | Pyridostatin hydrochloride,
Pyridostatin (hydrochloride),
1781882-65-2,
HY-15176A,
AKOS024458335,
CS-3851,
4-(2-Aminoethoxy)N2,N6-bis[(4-(2-aminoethoxy)-2-quinolinyl]-2,6-pyridinecarboxamide pentahydrochloride,
Pyridostatin pentahydrochloride,
|
| Complexity | 850 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 778.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 49 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 10 |
| Isotope Atom Count | 0 |
| Molecular Weight | 778.938g/mol |
| Monoisotopic Mass | 776.133g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 203A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number