| CAS Number | 1391506-12-9 |
| Catalog Number | AG01FL4B(AGN-PC-3H5LAA) |
| Chemical Name | (8α, 9R)-6'-Methoxycinchonan-9-amine trihydrochloride |
| IUPAC Name | (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 |
| InChI Key | GZXDEKGNTLNSGM-UHFFFAOYSA-N |
| MDL Number | MFCD16875657 |
| Molecular Formula | C20H28Cl3N3O |
| Molecular Weight | 432.8148 |
| SMILES | N[C@@H]([C@@H]1[N@@]2C[C@@H]([C@]([H])(C1)CC2)C=C)C3=CC=NC4=CC=C(C=C34)OC.[H]Cl.[H]Cl.[H]Cl |
| Synonyms | 1391506-12-9,
BCP18340,
9-epi-9-Amino-9-Deoxyquinidine 3HCl,
DB-085532,
1438382-27-4,
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| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.129796g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.8g/mol |
| Monoisotopic Mass | 431.129796g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.4Ų |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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