117976-47-3

Name Rabeprazole Sulfone
CAS 117976-47-3
Molecular Formula C18H21N3O4S
MDL Number MFCD08063743
Molecular Weight 375.447
MOL File 117976-47-3.mol
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Chemical Properties

Appearance Off-White Solid
Melting point  64-66°C
Boiling point  603.7±65.0 °C(Predicted)
density  1.308±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility  Acetone: slightly,Methanol: slightly
form  A solid
pka 9.04±0.10(Predicted)
Major Application pharmaceutical (small molecule)
InChI 1S/C18H21N3O4S/c1-13-16(19-9-8-17(13)25-11-5-10-24-2)12-26(22,23)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey KNYNPBSPFHFPML-UHFFFAOYSA-N
SMILES [S](=O)(=O)(Cc3nccc(c3C)OCCCOC)c1[nH]c2c(n1)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  2933998350
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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