ChemicalBook--->CAS DataBase List--->117976-47-3

117976-47-3

117976-47-3 Structure

117976-47-3 Structure
IdentificationBack Directory
[Name]

Rabeprazole Sulfone
[CAS]

117976-47-3
[Synonyms]

Rabeprazole USP RC D
Rabeprazole IMpurity E
Rabeprazole EP Impurity A
Rabeprazole IMpurity-sulphone
Rabeprazole Related CoMpound D
2-[[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfonyl]-1H-benzimidazol
2-[[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]sulfonyl]-1H-benzimidazole
Rabeprazole Related Compound D (25 mg) (2-[[[4-(3-Methoxypropoxy)-3-methyl-2-pyridyl]methyl]sulfonyl]benzimidazole)
[Molecular Formula]

C18H21N3O4S
[MDL Number]

MFCD08063743
[MOL File]

117976-47-3.mol
[Molecular Weight]

375.447
Chemical PropertiesBack Directory
[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
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

A metabolite of Rabeprazole (R070500).
Safety DataBack Directory
[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
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