Quetiapine

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Properties Simple | Detailed

Formula C21H25N3O2S
IUPAC Name 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
Molecular Mass 383.507 g·mol−1
Heat of Formation -24.3 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 460.44 Å 3
Surface Area 402.45 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 111974-72-2 (fumarate 2:1 salt)
  • 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
  • 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol fumarate (
  • 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
  • 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
  • 2-[2-[4-(6-benzo[b][1,5]benzothiazepinyl)-1-piperazinyl]ethoxy]ethanol
  • 2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol
  • ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-
  • ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
  • ks-1099
  • seroquel (fumarate)
CAS Number(s)
  • 111974-69-7
InChIKey URKOMYMAXPYINW-UHFFFAOYSA-N
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