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Omeprazole Related Compound A Structure

Omeprazole Related Compound A

Chemical Properties

Melting point 80-82°C
Boiling point 599.3±60.0 °C(Predicted)
Density  1.331±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  ≥40.6 mg/mL in DMSO,≥19.9 mg/mL in EtOH,insoluble in H2O
form  Solid
pka 7.97±0.10(Predicted)
color  White to off-white
BRN  8347309
Major Application pharmaceutical (small molecule)
InChI 1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey IXEQEYRTSRFZEO-UHFFFAOYSA-N
SMILES O=S(C1=NC2=CC(OC)=CC=C2N1)(CC3=NC=C(C)C(OC)=C3C)=O

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
HS Code  29333990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 2

Usage And Synthesis

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