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Weight383.517 g/mol
FormulaC21H25N3O2S
Hydrogen Acceptors6
Hydrogen Donors1
Aromatic Rings2
Rotatable Bonds5

quetiapine (111974-72-2, 111974-69-7)

Score: #11 in Neurology , #77 in Neuroscience , #403 in Biology
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Most-cited Publications

Areas of Application

Safety

Alternate Names

  • SMILES
    C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
  • InChIKey
    URKOMYMAXPYINW-UHFFFAOYSA-N

Estimated Properties

Density 1.28 g/cm3 EPA T.E.S.T.
Flash Point 286.82 C EPA T.E.S.T.
Water Solubility 21.82 mg/L EPA T.E.S.T.

External Links

Synthesis

Reactant  +  2-(Phenylthio)aniline (Imine formation from aldehyde)
Synthesis of quetiapine ›

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