Molybdenum, N,N-bis(C11-14-branched and linear alkyl)carbamodithioate oxo thioxo complexes

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics, other

Type of information:

other: Assessment based upon available information.

Adequacy of study:

key study

Study period:

May 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Information selected for the toxicokinetic assessment is primarily study data. Studies were conducted inaccordance with recognised testing guideline.

Data source

Reference

Reference Type:

other: Assessment

Title:

Unnamed

Year:

2018

Results and discussion

Any other information on results incl. tables

The physical state of the substance, reaction mass of molybdenum, bis(C_11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')oxodioxo-thioxodi-, molybdenum, bis(C_11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')dioxodi-thioxodi-, molybdenum, bis(C_11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')oxodi-thioxothioxodi-, and bis(C_11-14branched and linear alkyl) dithiocarbamic acid,is a brown liquid at room temperature and therefore, potential inhalation of the substance is negligible.

 

The substance is a substance of Unknown or Variable composition, Complex reaction products or Biological materials (UVCB) with multiple constituents and itswater solubility and partition coefficient (Log Kow)were estimated to be < 1.19x 10^-6mg/L and > 20, respectively,using the EPI Suite™ software.  The typical molecular mass of the substance (C₅₄H₁₀₈Mo₂N₂O_3-xS_5+xwhere x= 0-2) is 1188 Daltons.  These data indicate that the substance is large (> 500 Daltons), extremely low water soluble (< 0.1 mg/L), and very highly lipophilic (Log Pow > 5.6) molecule, and therefore, the substance is not bioavailable via the oral route in accordance with Lipinski's rule of five.  In addition, repeated dose oral toxicity studies in rats did not show any systemic effects up to 1000 mg/kg/day, the highest doses tested in both 14-day oral toxicity study and combined repeated dose oral toxicity study with the reproductive/developmental toxicity screening test.  No information is currently available on possible degradation products produced in the gastrointestinal tract.

 

The extremely low water solubility, very high lipophilicity, and large molecular mass of the substance also indicate that it is not expected to be absorbed via the dermal route.  The Magnusson and Kligman maximization test in the guinea pigshowed that the substance is not a skin sensitizer.

 

Additionally, the ready biodegradability test of the substance showed that it was 2% after 28 days and was not considered readily biodegradable. The substance is therefore expected to have low potential for bioaccumulation in aquatic organisms although the substance is persistent and its Log Pow exceeds 5.

 

In conclusion, based upon the available data, bioavailability ofthe substance, reaction mass of molybdenum, bis(C_11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')oxodioxo-thioxodi-, molybdenum, bis(C_11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')dioxodi-thioxodi-, molybdenum, bis(C_11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')oxodi-thioxothioxodi-, and bis(C_11-14branched and linear alkyl) dithiocarbamic acid,is expected to be very limited and the substance has very low systemic toxicity.

Applicant's summary and conclusion

Conclusions:

In conclusion, based upon the available data, bioavailability ofthe substance, reaction mass of molybdenum, bis(C11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')oxodioxo-thioxodi-, molybdenum, bis(C11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')dioxodi-thioxodi-, molybdenum, bis(C11-14branched and linear alkyl)carbamodithioato-.kappa.S,.kappa.S')oxodi-thioxothioxodi-, and bis(C11-14branched and linear alkyl) dithiocarbamic acid,is expected to be very limited and the substance has very low systemic toxicity.