Basic information
- Name:
1,2,4-Triazine-3,5-diamine,6-(2,3-dichlorophenyl)-
- Superlist Name:
- Lamotrigine
- CAS No.:
84057-84-1
- Molecular Structure:

- Formula:
- C9H7Cl2N5
- 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;
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Consensus Reports
Specification
The IUPAC name of Lamotrigine is 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine. With the CAS registry number 84057-84-1, it is also named as 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine; Lamictal. The product's categories are APIs, all inhibitors, inhibitors, intermediates & fine chemicals, pharmaceuticals, glutamate receptor. It is white to cream coloured powder.
The other characteristics of this product can be summarized as: (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.
Uses of Lamotrigine: It 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.
When you are using this chemical, 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.)
People can use the following data to convert to the molecule structure.
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).
The following is the toxicity data which has been tested.
| 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. |
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