| CAS Number | 1231763-32-8 |
| Catalog Number | AG009FHL(AGN-PC-0WAYXH) |
| Chemical Name | 9-Amino-(9-deoxy)epi-quinine trihydrochloride |
| IUPAC Name | (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanamine;trihydrochloride |
| InChI | InChI=1S/C20H25N3O.3ClH/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20H,1,7,9-10,12,21H2,2H3;3*1H/t13?,14?,19?,20-;;;/m0.../s1 |
| InChI Key | GZXDEKGNTLNSGM-FFDVZEDHSA-N |
| MDL Number | MFCD16875656 |
| Molecular Formula | C20H28Cl3N3O |
| Molecular Weight | 432.8148 |
| SMILES | C=C[C@@H](C[N@@]1CC2)[C@@H]2C[C@H]1[C@@H](N)C3=CC=NC4=CC=C(OC)C=C34.[H]Cl.[H]Cl.[H]Cl |
| Synonyms | 1231763-32-8,
(S)-{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanamine trihydrochloride,
(8S,9S)-9-Amino-9-deoxyepiquinine trihydrochloride,
KS-000023UH,
MFCD28015976,
AKOS022193557,
CK-0720,
(8alpha, 9S)-6'-Methoxycinchonan-9-amine trihydrochloride,
(8alpha, 9S)-6'-Methoxycinchonan-9-amine trihydrochloride, min. 90%,
9-Amino-(9-deoxy)epi-quinine trihydrochloride, 98% - 250MG 250mg,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.814g/mol |
| Monoisotopic Mass | 431.13g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.4A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number