| CAS Number | 1263486-03-8 |
| Catalog Number | AG009FBM |
| Chemical Name | 9-Amino-(9-deoxy)epi-cinchonidine trihydrochloride |
| IUPAC Name | (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanamine;trihydrochloride |
| InChI | InChI=1S/C19H23N3.3ClH/c1-2-13-12-22-10-8-14(13)11-18(22)19(20)16-7-9-21-17-6-4-3-5-15(16)17;;;/h2-7,9,13-14,18-19H,1,8,10-12,20H2;3*1H/t13?,14?,18?,19-;;;/m0.../s1 |
| InChI Key | UNDYEFVAUOWZRJ-KBVCVLTASA-N |
| MDL Number | MFCD28016037 |
| Molecular Formula | C19H26Cl3N3 |
| Molecular Weight | 402.7888 |
| SMILES | C=CC1CN2CCC1CC2[C@H](c1ccnc2c1cccc2)N.Cl.Cl.Cl |
| Synonyms | 1263486-03-8,
9-Amino-(9-deoxy)epi-cinchonidine trihydrochloride,
9-Amino-(9-deoxy)epi-cinchonidine trihydrochloride, 98% - 250MG 250mg,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.788g/mol |
| Monoisotopic Mass | 401.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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