Substance Identity
CAS Number 69-53-4
Chemical Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo, [2s-[2à,5à,6 (s*)]]-
Type of substance Organic
SMILES CC3(C)SC2C(NC(=O)C(N)c1ccccc1)C(=O)N2C3C(=O)(O)
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? No
Persistent (P)? No
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.0175
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.1035

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.35
Log Kow predicted by KowWin 1.45
Log BAF T2MTL predicted by Gobas 0.3712092229916
Log BCF 5% T2LTL predicted by Gobas 0.320286132694224
Log BCF Max predicted by OASIS 1.4259897252225
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 189.07636
Robust Study Summary iT
69534-AT-LC50-I-culqui.doc
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 2,164.372
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 2,944.2573
Toxicity to fish (LC50 in mg/l) as predicted by PNN 189.07636
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 569.8
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 148.776
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 8.52E+000

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Lowest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment