573691-11-9

Name Aripiprazole N4-Oxide
CAS 573691-11-9
Molecular Formula C23H27Cl2N3O3
MDL Number MFCD27977677
Molecular Weight 464.38
MOL File 573691-11-9.mol
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Chemical Properties

Melting point  >149°C (dec.)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
color  Off-White
Major Application pharmaceutical small molecule
InChI InChI=1S/C23H27Cl2N3O3/c24-19-4-3-5-21(23(19)25)28(30)13-11-27(12-14-28)10-1-2-15-31-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
InChIKey FDTVYHFBHZGERN-UHFFFAOYSA-N
SMILES N1C2=C(C=CC(OCCCCN3CC[N+]([O-])(C4=CC=CC(Cl)=C4Cl)CC3)=C2)CCC1=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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