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CAS No.: | 84057-84-1 |
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Name: | Lamotrigine |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C9H7Cl2N5 |
Molecular Weight: | 256.094 |
Synonyms: | 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine;6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine;BW 430C;LTG;Lamictal;Lamictal XR;Lamidus;Lamotrigin;Lamotriginae;1,2,4-Triazine-3,5-diamine,6-(2,3-dichlorophenyl)-; |
EINECS: | 281-901-8 |
Density: | 1.572 g/cm3 |
Melting Point: | 177-181 °C |
Boiling Point: | 503.1 °C at 760 mmHg |
Flash Point: | 258.1 °C |
Solubility: | DMSO: 20 mg/mL at 60 °C, soluble |
Appearance: | White to cream coloured powder |
Hazard Symbols: | T,Xi |
Risk Codes: | 25-36/37/38 |
Safety: | 45-36-26 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 90.71000 |
LogP: | 3.17220 |
1. Introduction of Lamotrigine
Lamotrigine is an anticonvulsant drug used in the treatment of epilepsy and bipolar disorder. The IUPAC name of Lamotrigine is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine. Lamotrigine is white to cream coloured powder. The product's categories are APIs, all inhibitors, inhibitors, intermediates & fine chemicals, pharmaceuticals, glutamate receptor.
2. Properties of Lamotrigine
(1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.63; (8)ACD/KOC (pH 7.4): 18.62; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 63.38 cm3; (14)Molar Volume: 162.8 cm3; (15)Polarizability: 25.12×10-24 cm3; (16)Surface Tension: 79.6 dyne/cm; (17)Enthalpy of Vaporization: 77.23 kJ/mol; (18)Vapour Pressure: 3E-10 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 9; (21)Exact Mass: 255.007851; (22)MonoIsotopic Mass: 255.007851; (23)Topological Polar Surface Area: 90.7; (24)Heavy Atom Count: 16.
3. Structure Descriptors of Lamotrigine
1) SMILES: Clc2c(Cl)c(c1nnc(nc1N)N)ccc2;
2) InChI: InChI=1/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16).
4. Toxicity of Lamotrigine
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | TDLo | oral | 19mg/kg (19mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE | Lancet. Vol. 342, Pg. 1552, 1993. |
man | TDLo | oral | 45mg/kg/25D-I (45mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Journal of Clinical Psychiatry. Vol. 59, Pg. 87, 1998. |
mouse | LD50 | oral | 245mg/kg (245mg/kg) | Epilepsia Vol. 25, Pg. 655, 1984. | |
rat | LD50 | oral | 205mg/kg (205mg/kg) | Epilepsia Vol. 25, Pg. 655, 1984. | |
women | TDLo | oral | 2mg/kg/30H-I (2mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | Pediatrics. Vol. 98, Pg. 294, 1996. |
5. Safety Information of Lamotrigine
Hazard Symbols:T;Xi
Risk Codes:
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Description:
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S35:This material and its container must be disposed of in a safe way.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
6. Use of Lamotrigine
Lamotrigine can be used in many fields. Lamotrigine is an anticonvulsant drug used in the treatment of epilepsy and bipolar disorder. It is also acts as a mood stabilizer. It is most effective in the treatment and prophylaxis of bipolar depression. In addition, its off-label uses include the treatment of peripheral neuropathy, trigeminal neuralgia, migraines, and reducing neuropathic pain. Lamotrigine also has side effects. If the doses over 50 mg qid, people may be headaches, dizziness and insomnia. In very rare cases, Lamotrigine has been known to cause the development of a dangerous rash called Stevens-Johnson syndrome.
7. Side effects of Lamotrigine
The common side effects of Lamotrigine include dizziness, nausea, and coordination problems. Those occurring in less than 5 percent of people include speech problems, neck pain, and sinus infection. Be sure to talk to your healthcare provider if you experience any problems with lamotrigine or if something "just doesn't seem right."
8. Other details of Lamotrigine
When you are using lamotrigine, please be cautious about it as the following:
It is toxic if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)