Lansoprazole sulfone Structure

Lansoprazole sulfone

Chemical Properties

Melting point 207°C (dec.)
Boiling point 555.6±60.0 °C(Predicted)
Density  1.459±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 9.04±0.10(Predicted)
form  Solid
color  White to Off-White
Major Application pharmaceutical
InChI InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
InChIKey TVMJMCGRSSSSDJ-UHFFFAOYSA-N
SMILES C1(S(CC2=NC=CC(OCC(F)(F)F)=C2C)(=O)=O)NC2=CC=CC=C2N=1
CAS DataBase Reference 131926-99-3
FDA UNII A62FAW18P1
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)Flame (GHS02)
Signal wordDanger
Hazard statements H315-H319-H225
Precautionary statements P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Safety Statements  24/25
WGK Germany  WGK 3
HS Code  29339900
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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Lansoprazole sulfone Spectrum