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Catalog Number | ACM135729623 |
CAS Number | 135729-62-3 |
Structure | ![]() |
Synonyms | Aloxi |
IUPAC Name | (3aS)-2-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride |
Molecular Weight | 332.87 |
Molecular Formula | C19H25ClN2O |
Canonical SMILES | C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5.Cl |
InChI | InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1 |
InChI Key | OLDRWYVIKMSFFB-SSPJITILSA-N |
Purity | 98%+ |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 456 |
Exact Mass | 332.1655411 |
Heavy Atom Count | 23 |
Isomeric SMILES | C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl |
Monoisotopic Mass | 332.1655411 |
Topological Polar Surface Area | 23.6Ų |
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