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Praziquantel EP Impurity C

CAT: 1299-RM-P182103-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P182103-01Size:10 mg
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CAS Number
125273-88-3
Synonyms
N-formyl-N- (2-oxo-2- (1-oxo-3,4-dihydroisoquinolin-2 (1H) -yl) ethyl) cyclohexanecarboxamide
Molecular Formula
C19H22N2O4
Molecular Weight
342.39
Target Alternative Name
Praziquantel
Product Name Synonym
N-formyl-N- (2-oxo-2- (1-oxo-3,4-dihydroisoquinolin-2 (1H) -yl) ethyl) cyclohexanecarboxamide

Chemical Information

N-Formyl-N-(2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexanecarboxamide
CAS Number125273-88-3
PubChem CID66524484
IUPAC NameN-formyl-N-[2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]cyclohexanecarboxamide
Molecular FormulaC19H22N2O4
Molecular Weight342.4
XLogP2.6
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity542
SMILES
C1CCC(CC1)C(=O)N(CC(=O)N2CCC3=CC=CC=C3C2=O)C=O
InChI
InChI=1S/C19H22N2O4/c22-13-20(18(24)15-7-2-1-3-8-15)12-17(23)21-11-10-14-6-4-5-9-16(14)19(21)25/h4-6,9,13,15H,1-3,7-8,10-12H2
InChIKey
RPNVVNYKJLHAFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Formyl-N-(2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexanecarboxamide
CAS: 125273-88-3
CID: 66524484
Formula: C19H22N2O4
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass342.15795719
Monoisotopic Mass342.15795719
Topological Polar Surface Area74.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes