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57452-32-1 | rac-1,2,3,6,7,11b-Hexahydro-2-[(4-oxocyclohexyl)carbonyl]-4H-pyrazino[2,1-a]isoquinolin-4-one
CAS No: 57452-32-1 Catalog No: AG00EEU9 MDL No:
Product Description
Catalog Number:
AG00EEU9
Chemical Name:
rac-1,2,3,6,7,11b-Hexahydro-2-[(4-oxocyclohexyl)carbonyl]-4H-pyrazino[2,1-a]isoquinolin-4-one
CAS Number:
57452-32-1
IUPAC Name:
2-(4-oxocyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
InChI:
InChI=1S/C19H22N2O3/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/h1-4,14,17H,5-12H2
InChI Key:
HNIDYTQURQDBHQ-UHFFFAOYSA-N
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Praziquantel analogs with activity against juvenile Schistosoma mansoni. | Bioorganic & medicinal chemistry letters 20100415 |
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