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252186-78-0

252186-78-0 Structure

252186-78-0 Structure
IdentificationBack Directory
[Name]

5-DesaMino 5-Oxo-2,5-dihydro LaMotrigine
[CAS]

252186-78-0
[Synonyms]

Lamotrigine Impurity A
Lamotrigine EP impurity A
Lamotrigine impurity A (PhEur)
Lamotrigine USP Related Compound C
3-Amino-6-(2,3-dichlorophenyl)-1,2,
Lamotrigine Related Compound C (USP)
LaMotrigine EP IMpurity-A (USP RC C)
5-DesaMino 5-Oxo-2,5-dihydro LaMotrigine
Lamotrigine EP imp-C /Lamotrigine EP Impurity A
Lamotrigine Impurity 1 (Lamotrigine EP Impurity A)
3-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5(4H)-one
3-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5(2H)-one
3-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazine-5(4H)-one
1,2,4-Triazin-5(2H)-one, 3-amino-6-(2,3-dichlorophenyl)-
3-AMino-6-(2,3-dichlorophenyl)-1,2,4-tryriazin-5(2H)-one
3-AMino-6-(2,3-dichlorophenyl)-1,2,4-tryriazin-5(4H)-one
Lamotrigine EP Impurity A/ Lamotrigine Related Compound C
[Molecular Formula]

C9H6Cl2N4O
[MDL Number]

MFCD18803573
[MOL File]

252186-78-0.mol
[Molecular Weight]

257.08
Questions And AnswerBack Directory
[Preparation]

Lamotrigine (614.4 g, 2.4 mol) and solid sodium hydroxide (242.4 g) were added to water (60 L) and stirred under reflux for 24 hours. The resulting solution was cooled to 15-20°C and the pH was adjusted to 5.5-6.0 with hydrochloric acid. The precipitated solid was filtered and dried for 24 hours, with the drying process carried out sequentially at 40°C, 50°C, and 70°C. The purity of the product was determined by HPLC to be 82%. The HPLC conditions were as follows: 583 g of the above 82% purity product sample was added to propanol (15 L) and stirred under reflux for 0.5 hours to obtain the target product 5-DesaMino 5-Oxo-2,5-dihydro LaMotrigine.
Chemical PropertiesBack Directory
[Boiling point ]

412.1±55.0 °C(Predicted)
[density ]

1.74±0.1 g/cm3(Predicted)
[solubility ]

Aqueous Base (Slightly), DMSO (Slightly), Methanol (Very Slightly)
[form ]

neat
[pka]

8.61±0.70(Predicted)
[Major Application]

forensics and toxicology
pharmaceutical (small molecule)
[InChI]

InChI=1S/C9H6Cl2N4O/c10-5-3-1-2-4(6(5)11)7-8(16)13-9(12)15-14-7/h1-3H,(H3,12,13,15,16)
[InChIKey]

OVNGWOHWYFBGKF-UHFFFAOYSA-N
[SMILES]

N1=C(C2=CC=CC(Cl)=C2Cl)C(=O)N=C(N)N1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P310
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

WGK 3
[HS Code ]

2933690000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Lamotrigine-->1-Propanol
Hazard InformationBack Directory
[Uses]

An impurity of the anticonvulsant Lamotrigine (L173250).
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