2-(4-Hydroxycyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one - CAS 60743-58-0
Catalog: |
BB030792 |
Product Name: |
2-(4-Hydroxycyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one |
CAS: |
60743-58-0 |
Synonyms: |
2-[(4-hydroxycyclohexyl)-oxomethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one; 2-(4-hydroxycyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one |
IUPAC Name: | 2-(4-hydroxycyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one |
Description: | 2-(4-Hydroxycyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one (CAS# 60743-58-0 ) is a useful research chemical. |
Molecular Weight: | 328.41 |
Molecular Formula: | C19H24N2O3 |
Canonical SMILES: | C1CC(CCC1C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2)O |
InChI: | InChI=1S/C19H24N2O3/c22-15-7-5-14(6-8-15)19(24)20-11-17-16-4-2-1-3-13(16)9-10-21(17)18(23)12-20/h1-4,14-15,17,22H,5-12H2 |
InChI Key: | OKTGUGBZQBTMHZ-UHFFFAOYSA-N |
LogP: | 1.38150 |
Publication Number | Title | Priority Date |
CA-1036606-A | 2-acyl-4-oxo-pyrazino-isoquinoline derivatives and process for the preparation thereof | 19731217 |
PMID | Publication Date | Title | Journal |
19665946 | 20091001 | Enantioselective analysis of praziquantel and trans-4-hydroxypraziquantel in human plasma by chiral LC-MS/MS: Application to pharmacokinetics | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
17555960 | 20070801 | Praziquantel derivatives I: Modification of the aromatic ring | Bioorganic & medicinal chemistry letters |
Complexity: | 501 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 328.17869263 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 328.17869263 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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