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| CAS No.: | 5610-40-2 |
|---|---|
| Name: | SECURININE |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H15 N O2 |
| Molecular Weight: | 217.268 |
| Synonyms: | 6,10-Methanopyrido[1,2-a]azepine-D9(6H),a-acetic acid, 1,2,3,4,10,10a-hexahydro-10-hydroxy-, g-lactone (7CI); Securinan-11-one;Securinine (6CI); Securinine, (-)- (8CI); (-)-Securinine; NSC 107413;Securinin; l-Securinine |
| EINECS: | 694-738-6 |
| Density: | 1.3 g/cm3 |
| Melting Point: | 140-1420C |
| Boiling Point: | 459 ºC at 760 mmHg |
| Flash Point: | 197 ºC |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25 |
| Safety: | Poison by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 29.54000 |
| LogP: | 1.34290 |
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Chemistry
Molecular Formula: C13H15NO2
Molar mass: 217.2637 g/mol
Density: 1.3 g/cm3
Flash Point: 197 °C
Index of Refraction: 1.633
Boiling Point: 459 °C at 760 mmHg
Vapour Pressure: 1.32E-08 mmHg at 25 °C
Melting point: 140-142 °C(lit.)
Product categories of Securinine (CAS NO.5610-40-2): Heterocycles;Pharmaceuticals;Intermediates & Fine Chemicals
Structure of Securinine (CAS NO.5610-40-2):
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
Isomeric SMILES: C1CCN2[C@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4
InChI: InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1
InChIKey: SWZMSZQQJRKFBP-WZRBSPASSA-N
Uses
Securinine (CAS NO.5610-40-2) has effects of anti-tunor and antibacterial activity and it is a stimulant on the central nervous system.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| cat | LDLo | subcutaneous | 10mg/kg (10mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| dog | LD | intramuscular | > 10mg/kg (10mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| frog | LD | unreported | > 100mg/kg (100mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHANGE IN ACUITY: EAR BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| monkey | LD | oral | > 54mg/kg (54mg/kg) | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. | |
| monkey | LDLo | intramuscular | 8mg/kg (8mg/kg) | CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| mouse | LD50 | intramuscular | 19320ug/kg (19.32mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| mouse | LD50 | intraperitoneal | 31800ug/kg (31.8mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| mouse | LD50 | intravenous | 6230ug/kg (6.23mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| mouse | LD50 | oral | 270mg/kg (270mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| mouse | LD50 | subcutaneous | 20420ug/kg (20.42mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| rabbit | LDLo | intravenous | 10mg/kg (10mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| rat | LD50 | intramuscular | 17400ug/kg (17.4mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| rat | LD50 | intraperitoneal | 41mg/kg (41mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| rat | LD50 | intravenous | 15100ug/kg (15.1mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. |
| rat | LD50 | oral | > 800mg/kg (800mg/kg) | Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 54, Pg. 234, 1974. | |
| rat | LD50 | unreported | 4300ug/kg (4.3mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 800, 1963. |
Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
T
Risk Statements: 23/24/25
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-45
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.)
Specification
Securinine ,its cas register number is 5610-40-2. It also can be called (-)-Securinine ; (6S,11aR,11bS)-9,10,11,11a-Tetrahydro-8H-6,11b-methanofuro[2,3-c]-pyrido[1,2-a]azepin-2(6H)-one ; Virosecurinine ; Securinan-11-one and Securinin .