[8-Chloro-6-(2-Fluorophenyl)-4H-Imidazo[1,5-A][1,4]Benzodiazepin-1-Yl]Methyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C21H21ClFN3O7
IUPAC Name (2s,3s,4s,5r,6r)-6-[[8-chloro-6-[(z)-2-fluoro-1-methyl-vinyl]-1,4-dihydroimidazo[1,5-a][1,4]benzodiazepin-11-ium-1-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 481.859 g·mol−1
Heat of Formation -1030.6 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 544.57 Å 3
Surface Area 411.31 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[[8-chloro-6-(2-fluorophenyl)-4h-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[8-chloro-6-(2-fluorophenyl)-4h-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[8-chloro-6-(2-fluorophenyl)-4h-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[8-chloro-6-(2-fluorophenyl)-4h-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 1-hydroxymethylmidazolam glucuronide
  • beta-d-glucopyranosiduronic acid, (8-chloro-6-(2-fluorophenyl)-4h-imidazo(1,5-a)(1,4)benzodiazepin-1-yl)methyl
  • mdz-glucuronide
CAS Number(s)
  • 81256-81-7
InChIKey ICIUMXQTLQXWGL-QMDPOKHVSA-N
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