| CAS Number | 1472611-44-1 |
| Catalog Number | AG01FS4N(AGN-PC-3H5PP8) |
| Chemical Name | Pyridostatin Trifluoroacetate |
| IUPAC Name | 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C31H32N8O5.C2HF3O2/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;3-2(4,5)1(6)7/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41);(H,6,7) |
| InChI Key | SLFYRKZWSPFGQZ-UHFFFAOYSA-N |
| MDL Number | MFCD26142941 |
| Molecular Formula | C33H33F3N8O7 |
| Molecular Weight | 710.6597 |
| SMILES | FC(C(=O)O)(F)F.NCCOC1=CC(=NC(=C1)C(=O)NC1=NC2=CC=CC=C2C(=C1)OCCN)C(=O)NC1=NC2=CC=CC=C2C(=C1)OCCN |
| Synonyms | Pyridostatin Trifluoroacetate,
1472611-44-1,
Pyridostatin trifluoroacetate salt,
s7444,
AK686543,
J-690024,
Pyridostatin trifluoroacetate salt, >=98% (HPLC),
Ethyl 4-(4-biphenylyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate,
1085412-37-8,
|
| Complexity | 934 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 710.24243g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 710.7g/mol |
| Monoisotopic Mass | 710.24243g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 240Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number