2-(4-{3-[2-(Trifluoromethyl)-10H-Phenothiazin-10-Yl]Propyl}-1-Piperazinyl)Ethyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C22H12F3N3O7S++
IUPAC Name carbon dioxide; 2-[2-[4-[3-[3-(2-fluoroethynyl)-5-thia-2-azabicyclo[4.1.0]hepta-1(6),3-dien-2-yl]prop-2-ynyl]pyrazine-1,4-diium-1-yl]ethynoxy]tetrahydropyran-3,4,5-trione; molecular fluorine
Molecular Mass 519.407 g·mol−1
Heat of Formation -1658.3 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 684.1 Å 3
Surface Area 550.55 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethoxy]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]tetrahydropyran-2-carboxylic acid
  • 7-hfpgl
  • 7-hydroxyfluphenazine glucuronide
CAS Number(s)
  • 133310-09-5
InChIKey FPAXYGQWHAIDFV-GAYSTUHSSA-N
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