Molecular Identity
praziquantel
2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
PubChem CID: 4891
2-[cyclohexyl(oxo)methyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is a member of isoquinolines.
2D Structure
Properties
C19H24N2O2
Molecular Formula
312.40
Molecular Weight
g/mol
312.1838
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
40.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
472
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
praziquantel55268-74-1BiltricideDroncitEmbay 8440PraziquantelumCysticide2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-oneprazicuantelEMBAY-8440DTXSID9021182NSC-7572854H-Pyrazino(2,1-a)isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a)isoquinolin-4-oneDTXCID501182
Data from PubChem (NCBI)
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