3,5-Diamino-6-(2,3-Dichlorophenyl)-2-(β-D-Glucopyranuronosyl)-1,2,4-Triazin-2-Ium

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Properties Simple | Detailed

Formula C15H16Cl2N5O6+
IUPAC Name (2s,3s,4s,5r,6r)-6-[3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Mass 433.223 g·mol−1
Heat of Formation -783.2 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 440.65 Å 3
Surface Area 371.58 Å 2
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-2-yl]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-2-yl]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium-2-yl]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • 1,2,4-triazinium, 3,5-diamino-6-(2,3-dichlorophenyl)-2-beta-d-glucopyranuronosyl-
  • lamotrigine 2-n-glucuronide
CAS Number(s)
  • 133310-19-7
InChIKey IEVMENHZPOWVGO-XPORZQOISA-O
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