1076199-40-0

Name Quetiapine N-Oxide
CAS 1076199-40-0
Molecular Formula C21H25N3O3S
MDL Number MFCD11977896
Molecular Weight 399.51
MOL File 1076199-40-0.mol
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Chemical Properties

Melting point  >96°C (dec.)
storage temp.  -20°C Freezer, Under Inert Atmosphere
solubility  Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated
form  Solid
pka 14.31±0.10(Predicted)
color  White to Light Brown
Stability: Hygroscopic
Major Application pharmaceutical
InChI 1S/C21H25N3O3S/c25-14-16-27-15-13-24(26)11-9-23(10-12-24)21-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChIKey VVBXDYFGQNNTDS-UHFFFAOYSA-N
SMILES [s]1c2c(nc(c4c1cccc4)N3CC[N+](CC3)([O-])CCOCCO)cccc2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
WGK Germany  WGK 3
HS Code  29309090
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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