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(S)-Praziquantel

CAT: 0572-TRC-P702105-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P702105-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57452-97-8
Synonyms
(11bS)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one; (S)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one; (+)-Praziquantel; (S)-(+)-Praziquantel; (S)-Praziquantel; d-Praziquantel
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C(C1CCCCC1)N2C[C@H]3N(CCc4ccccc34)C(=O)C2
Molecular Formula
C19 H24 N2 O2
Molecular Weight
312.41
InChI
InChI=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-/m1/s1
Additionnal Information
IUPAC name: (11bS)-2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Praziquantel, (S)-
CAS Number57452-97-8
PubChem CID1917817
IUPAC Name(11bS)-2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Molecular FormulaC19H24N2O2
Molecular Weight312.4
XLogP2.7
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
C1CCC(CC1)C(=O)N2C[C@@H]3C4=CC=CC=C4CCN3C(=O)C2
InChI
InChI=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-/m1/s1
InChIKey
FSVJFNAIGNNGKK-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Praziquantel, (S)-
CAS: 57452-97-8
CID: 1917817
Formula: C19H24N2O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass312.183778013
Monoisotopic Mass312.183778013
Topological Polar Surface Area40.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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