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Praziquantel(CAS No. 55268-74-1)

Praziquantel C19H24N2O2 (cas 55268-74-1) Molecular Structure

55268-74-1 Structure

Identification and Related Records

【Name】
Praziquantel
【CAS Registry number】
55268-74-1
【Synonyms】
Drontal
Prestwick_402
4H-Pyrazino(2,1-a)isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-
Biltricide (TN)
2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino(2,1-a)isoquinolin-4-one
5-24-03-00361 (Beilstein Handbook Reference)
2-(Cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro- 4H-pyrazino[2,1-a]-isoquinolin-4-one
Drontal Plus
Droncit
Praziquantel (JAN/USP)
Cutter
【EINECS(EC#)】
259-559-6
【Molecular Formula】
C19H24N2O2 (Products with the same molecular formula)
【Molecular Weight】
312.40606
【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
【InChIKey】
FSVJFNAIGNNGKK-UHFFFAOYSA-N
【Canonical SMILES】
C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
【MOL File】
55268-74-1.mol

Chemical and Physical Properties

【Appearance】
WHITE OR PRACTICALLY WHITE CRYSTALLINE POWDER
【Density】
1.22 g/cm3
【Melting Point】
136℃~142oC
【Boiling Point】
544.1oCat 760 mmHg
【Flash Point】
254.6oC
【Water】
VERY SLIGHTLY SOLUBLE IN WATER, FREELY SOLUBLE IN ALCOHOL AND IN CHLOROFORM
【Solubilities】
VERY SLIGHTLY SOLUBLE IN WATER, FREELY SOLUBLE IN ALCOHOL AND IN CHLOROFORM
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:312.40606 [g/mol]
Molecular Formula:C19H24N2O2
XLogP3-AA:2.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:312.183778
MonoIsotopic Mass:312.183778
Topological Polar Surface Area:40.6
Heavy Atom Count:23
Formal Charge:0
Complexity:472
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:4
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.8
CID Conformer Count:34

Safety and Handling

【Hazard Codes】
F: Flammable;C: Corrosive;
【Risk Statements】
R11
【Safety Statements 】
16-26-36/37/39-45
【Safety】

Hazard Codes of Biltricide (CAS NO.55268-74-1):?FlammableF,CorrosiveC
Risk Statements: 11-34?
R11: Highly flammable.?
R34: Causes burns.
Safety Statements: 16-26-36/37/39-45?
S16: Keep away from sources of ignition.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 1
RTECS: UQ4150000
Poison by intraperitoneal route. Moderately toxic by ingestion and other routes. Human mutation data reported. When Biltricide was heated to decomposition, it emits toxic fumes of NOx.

【Specification】

White Solid
usageEng:Anthelmintic, effective against flatworms.
Safety Statements:16-26-36/37/39-45
16:Keep away from sources of ignition - No smoking
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
【Report】

EPA Genetic Toxicology Program.

Use and Manufacturing

【Usage】

Broad spectrum anthelmintic.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents destructive to parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
【Therapeutic Uses】
Anthelmintic, effective against flatworms.

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