127780-16-9

Name PANTOPRAZOLE SULPHONE SODIUM SALT
CAS 127780-16-9
Molecular Formula C16H14F2N3NaO5S
MDL Number MFCD08063689
Molecular Weight 421.35
MOL File 127780-16-9.mol

Chemical Properties

Melting point  145-150℃
Boiling point  586.3±60.0 °C(Predicted)
density  1.457±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 5 mg/ml
form  neat
pka 7.40±0.10(Predicted)
BRN  9430498
Major Application pharmaceutical (small molecule)
InChI 1S/C16H15F2N3O5S/c1-24-13-5-6-19-12(14(13)25-2)8-27(22,23)16-20-10-4-3-9(26-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChIKey FCJYMBZQIJDMMM-UHFFFAOYSA-N
SMILES FC(F)Oc1cc2nc([nH]c2cc1)[S](=O)(=O)Cc3nccc(c3OC)OC

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
WGK Germany  WGK 3
HS Code  2933399090
Storage Class 11 - Combustible Solids

Hazard Information

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