Lithium bis(fluorosulfonyl)imide

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics in vivo

Type of information:

(Q)SAR

Adequacy of study:

other information

Study period:

2018.11~2018.12

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

Prediction of toxicokinetic(TK) properties

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Objective of study:

toxicokinetics

Test material

Test material information

Constituent 1

Reference substance name:

Lithium bis(fluorosulfonyl)imide

EC Number:

686-526-7

Cas Number:

171611-11-3

Molecular formula:

F2 H N O4 S2 . Li

IUPAC Name:

Lithium bis(fluorosulfonyl)imide

Test material form:

solid: bulk

Results and discussion

Preliminary studies:

Human Jejunum Scale (pH 6.5): 1.9210-4 cm/s;
Absorption rate: ka = 0.013 min-1.
Caco-2 (pH7.4, rpm 500) to predict cell membrane permeability using Caco-2 model;
Pe: 1410-6 cm/s;
Transcellular route: 96 %;
Paracellular route: 4 %.
The ACD/ADME calculated data indicated that Bis(fluorosulfonyl)imide could be absorbed in small intestine.
In fact, Bis(fluorosulfonyl)imide shows highly hydrophilic property, small molecular size, and molecular weight, it could pass the vascular wall easily under the drive of concentration gradient.
Therefore, the predicted compound could be absorbed in small intestine.

Toxicokinetic / pharmacokinetic studies

Details on absorption:

Maximum passive absorption: 100 %;
Transcellular route: 95 %;
Paracellular route: 5 %.

Details on excretion:

Bis(fluorosulfonyl)imide might be directly excreted via urine, since it was predicted to be water soluble in scifinder.cas.org.
Furthermore, Bis(fluorosulfonyl)-imide may first be transfer to F- and SO42-, then excreted via urine, under the affection of water in vivo

Metabolite characterisation studies

Details on metabolites:

Since no carbon presents in the molecule of Bis(fluorosulfonyl)imide, ACD/ADME-metabolism would not predict metabolized site and reaction type.
On the other hand, as patent (JP2013091524A)1 reported, Lithium Bis(fluorosulfonyl)imide could form F- and SO42- under the affection of H2O.
Therefore, Bis(fluorosulfonyl)imide also might be transferred to F- and SO42- in the body water environment.

Bioaccessibility (or Bioavailability)

Bioaccessibility (or Bioavailability) testing results:

Oral Bioavailability: > 70%. Reliability: 0.569.

ACD/ADME predications indicated that the predicted compound would have a high oral bioavailability with a high reliability.
The highly hydrophilic property and other corresponding physicochemical properties,
like small molecular size and molecular weight, might make Bis(fluorosulfonyl)imide have a low good bioavailability