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PZQ

Summary
Name:PRAZIQUANTEL
Formula:C19 H24 N2 O2
Formal charge:0
Formula weight:312.406 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(11bR)-2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
OpenEye OEToolkits1.5.0(11bR)-2-cyclohexylcarbonyl-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C4N2CCc1c(cccc1)C2CN(C(=O)C3CCCCC3)C4
SMILES_CANONICALCACTVS3.341O=C1CN(C[C@@H]2N1CCc3ccccc23)C(=O)C4CCCCC4
SMILESCACTVS3.341O=C1CN(C[CH]2N1CCc3ccccc23)C(=O)C4CCCCC4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)C4CCCCC4
InChIInChI1.03InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m0/s1
InChIKeyInChI1.03FSVJFNAIGNNGKK-KRWDZBQOSA-N

218853

PDB entries from 2024-04-24

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