N-(5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl)-2,3-dichlorobenzamide

Base Information

• Chemical Name: N-(5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl)-2,3-dichlorobenzamide
• CAS No.: 252186-79-1
• Molecular Formula: C16H9Cl4N5O
• Molecular Weight: 429.08756
• Hs Code.: 2933690000
• European Community (EC) Number: 688-086-1
• UNII: 70W8RUF6S9
• DSSTox Substance ID: DTXSID30179879
• Wikidata: Q27265899
• Mol file: 252186-79-1.mol

Synonyms:252186-79-1;3-(2,3-Dichlorobenzamido) Lamotrigine;N-(5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl)-2,3-dichlorobenzamide;N-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,3-dichlorobenzamide;70W8RUF6S9;Benzamide, N-(5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl)-2,3-dichloro-;UNII-70W8RUF6S9;Lamotrigine specified impurity F [EP];LAMOTRIGINEEPIMPURITYF;SCHEMBL7534221;LAMOTRIGINE EP IMPURITY F;DTXSID30179879;RDUGDEWOUWFKPL-UHFFFAOYSA-N;BCP33700;CS-0450368;LAMOTRIGINE IMPURITY F [EP IMPURITY];Q27265899;N-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazine-3-yl]-2,3-dichlorobenzamide;N-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,3-dichlorobenzamide;N-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,3-dichlorobenzamide, pharmaceutical impurity standard

Chemical Property of N-(5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl)-2,3-dichlorobenzamide

Chemical Property:

• PKA: 8.05±0.70(Predicted)
• PSA: 97.28000
• Density: 1.629±0.06 g/cm3(Predicted)
• LogP: 5.95190
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 428.953171
• Heavy Atom Count: 26
• Complexity: 501

Purity/Quality:

99%, ^*data from raw suppliers

3-(2,3-Dichlorobenzamido)Lamotrigine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)NC(=O)C3=C(C(=CC=C3)Cl)Cl)N