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Administrative data

Endpoint:
explosive properties of explosives
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
The method used is a calculation to predict the explosive potential of the substance. It is based on the structural groups and the oxygen balance of the molecule.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Chondroitin disaccharide deltadi-4S sodium salt
Cas Number:
136144-56-4
Molecular formula:
C14H19NO14S•2Na
IUPAC Name:
Chondroitin disaccharide deltadi-4S sodium salt
Constituent 2
Chemical structure
Reference substance name:
α-deltaUA-[1→3]-GalNAc-6S = α-[4-deoxy-L-threo-hex-4-enopyranosyluronic acid] sodium salt-[1→3]-N-acetyl-D-galactosamine-6-sulphate
Cas Number:
136132-72-4
Molecular formula:
C14H19NO14S•2Na
IUPAC Name:
α-deltaUA-[1→3]-GalNAc-6S = α-[4-deoxy-L-threo-hex-4-enopyranosyluronic acid] sodium salt-[1→3]-N-acetyl-D-galactosamine-6-sulphate
Constituent 3
Reference substance name:
unknown metal constituents
IUPAC Name:
unknown metal constituents
Constituent 4
Chemical structure
Reference substance name:
Chloride
Cas Number:
16887-00-6
Molecular formula:
Cl
IUPAC Name:
Chloride
Constituent 5
Chemical structure
Reference substance name:
Ethanol
EC Number:
200-578-6
EC Name:
Ethanol
Cas Number:
64-17-5
Molecular formula:
C2H6O
IUPAC Name:
Ethanol
Constituent 6
Reference substance name:
unknown constituent
Molecular formula:
unknown
IUPAC Name:
unknown constituent
Constituent 7
Chemical structure
Reference substance name:
Glucuronic acid
EC Number:
229-486-4
EC Name:
Glucuronic acid
Cas Number:
6556-12-3
Molecular formula:
C6H10O7
IUPAC Name:
(2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid / (2S,3S,4S,5R,6R)-3,4,5,6- Tetrahydroxyoxane-2-carboxylic acid
Constituent 8
Chemical structure
Reference substance name:
(2R,3S,5R)-3-amino-6-(hydroxyméthyl)oxane-2,4,5-triol
Cas Number:
7535-00-4
Molecular formula:
C6H13NO5
IUPAC Name:
(2R,3S,5R)-3-amino-6-(hydroxyméthyl)oxane-2,4,5-triol
Constituent 9
Reference substance name:
group of unknown constituents
Molecular formula:
unknown
IUPAC Name:
group of unknown constituents
Test material form:
solid
Specific details on test material used for the study:
The substance is a reaction mass of different isomers. However, as these are equivalent, it was deemed appropriate to assess a single isomer only within this assessment.

Results and discussion

Small-scale preliminary tests
Key result
Parameter:
other: experimental explosivity
Remarks on result:
not measured/tested
Remarks:
calculation method was performed instead and show no explosive potential for the substance

Any other information on results incl. tables

No structural groups indicative of explosivity were found in the molecule. The oxygen balance was calculated to be -113.58.

The substance was not predicted to be explosive.

Applicant's summary and conclusion

Interpretation of results:
study cannot be used for classification
Conclusions:
Although the substance has an oxygen balance of > -200, the chemical structure contains no alerts for explosive potential. On this basis, the substance is predicted to be not explosive.

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