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| CAS No.: | 552-70-5 |
|---|---|
| Name: | 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H15 N O |
| Molecular Weight: | 153.224 |
| Synonyms: | Pseudopelletierine(6CI); 9-Methyl-3-granataninone; 9-Methyl-3-granatanone;9-Methyl-9-azabicyclo[3.3.1]nonan-3-one; Granatan-3-one; NSC 116056;Pseudopelletierin; Pseudopunicine; y-Pelletierine |
| EINECS: | 209-021-1 |
| Density: | 1.033 g/cm3 |
| Melting Point: | 63-65°C |
| Boiling Point: | 246.7 °C at 760 mmHg |
| Flash Point: | 95.9 °C |
| Appearance: | colorless (yellows on exposure) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 20.31000 |
| LogP: | 1.14010 |
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Chemistry
Molecular structure of Pseudopelletierine (CAS NO.552-70-5) is:
Product Name: Pseudopelletierine
CAS Registry Number: 552-70-5
IUPAC Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Molecular Weight: 153.2215 [g/mol]
Molecular Formula: C9H15NO
XLogP3-AA: 0.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Melting Point: 63-65°C
Molar Volume: 148.2 cm3
Surface Tension: 34.3 dyne/cm
Density: 1.033 g/cm3
Flash Point: 95.9 °C
Enthalpy of Vaporization: 48.39 kJ/mol
Boiling Point: 246.7 °C at 760 mmHg
Vapour Pressure: 0.0267 mmHg at 25°C
Product Categories: Amines and Anilines;Carbonyl Compounds;Heterocyclic Compounds
Uses
Pseudopelletierine (CAS NO.552-70-5) found in pomegranate bark possesses activity against intestinal tapeworm.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | subcutaneous | 230mg/kg (230mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948. | |
| mouse | LDLo | subcutaneous | 200mg/kg (200mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948. |
Safety Profile
Safty information about Pseudopelletierine (CAS NO.552-70-5) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: CL5593500
Specification
Pseudopelletierine , its cas register number is 552-70-5. It also can be called 3-Granataninone, 9-methyl- ; 9-Methyl-3-granatanone ; EINECS 209-021-1 ; Granatan-3-one ; Granatonine ; NSC 116056 ; Pseudopelletierin ; Pseudopelletrierin ; Pseudopunicine ; psi-Pelletierine ; 9-Azabicyclo(3.3.1)nonan-3-one, 9-methyl- ; 9-Methyl-9-azabicyclo(3.3.1)nonan-3-one .It is an alkaloid derived from the bark of the pomegranate tree.Also it is a homolog of tropinone.