1,2-Diazabicyclo[2.2.2]octan-3-one - CAS 1632-26-4
Catalog: |
BB062774 |
Product Name: |
1,2-Diazabicyclo[2.2.2]octan-3-one |
CAS: |
1632-26-4 |
Synonyms: |
1,2-diazabicyclo[2.2.2]octan-3-one; 1,2-DIAZABICYCLO(2.2.2)OCTAN-3-ONE; 2-Azaquinuclidone-3; 3-oxo-2-azaquinuclidine |
IUPAC Name: | 1,2-diazabicyclo[2.2.2]octan-3-one |
Description: | 1,2-Diazabicyclo[2.2.2]octan-3-one is an intermediate used in the synthesis of Bicyclo Risperidone (B382800), which is an impurity of Risperidone (R525000); a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist. |
Molecular Weight: | 126.16 |
Molecular Formula: | C6H10N2O |
Canonical SMILES: | C1CN2CCC1C(=O)N2 |
InChI: | InChI=1S/C6H10N2O/c9-6-5-1-3-8(7-6)4-2-5/h5H,1-4H2,(H,7,9) |
InChI Key: | NDZACTZHUWMHTA-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Chloroform |
Appearance: | Brown Solid |
Storage: | -20°C Freezer |
References: | Jannssen, P.A.J., et al. J. Pharmacol. Exp. Ther., 244, 685 (1988); Gelders, Y.G., et al. Pharmacopsychiatry, 23, 206 (1990); Green, B. Curr. Med. Res. Opin., 16, 57 (2000). |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.079312947 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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