Registration Dossier

Administrative data

Link to relevant study record(s)

Description of key information

The ready biodegradability of Pipamperone was estimated by using BIOWIN, Toxtree and

Vega predictors.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information

Ready biodegradability predictions.

BIOWIN (EPISuite)

Toxtree

Vega

WoE prediction

NOT READY

BIODEGRADABLE

(Moderate reliable)

PERSISTENT

(na*)

NOT READY

BIODEGRADABLE

(Not reliable)

NOT READY

BIODEGRADABLE

(Moderate reliable)

BIOWIN models consistently predictedPipamperone as not readily biodegradable. Considering that i) BIOWIN models have an overall good prediction accuracy, ii) Pipamperone is included in the MW range of the training sets of BIOWIN models (MW=375.48), and iii) Pipamperone has structural features represented in the training set of BIOWIN models (i.e., Amide [-C(=O)-N or -C(=S)-N], Carbon with 4 single bonds & no hydrogens, Ketone [-C-C(=O)-C-], Tertiary amine, Fluorine [-F], Aromatic-H, -CH2- [linear], -CH2- [cyclic]), the ready biodegradability prediction provided by BIOWIN was assessed as moderate reliable.

Toxtree assigned Pipamperone to the classpersistent chemical, because the two or more rings structural alerts associated to persistent chemicals was identified. Toxtree prediction was not supported by a detailed reliability evaluation.

Vega predicted the target compound Pipamperone as not ready biodegradable, however the prediction was assessed as not reliable based on the applicability domain index (ADI = 0) and the following issues: i) only moderately similar compounds with known experimental value are included in the training set; ii) similar molecules found in the training set have experimental values that disagree with the predicted value; iii) a prominent number of atom centered fragments of the compound have not been found in the compounds of the training set or are rare fragments.

The target compound Pipamperone was predicted as not ready biodegradable by BIOWIN (moderate reliable prediction), as not ready biodegradable by Vega (not reliable prediction), and as not ready biodegradable by Toxtree (reliability assessment not applicable).

Thus, based on BIOWIN and Toxtree predictions, it was concluded that Pipamperone was predicted as NOT ready biodegradable and the prediction was assessed as moderate reliable.