Substance Identity
CAS Number 24730-10-7
Chemical Name Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'.alpha.,10.alpha.)-, monomethanesulfonate (salt)
Type of substance Organic
SMILES O=C1N2C(Cc8ccccc8)C(=O)N(CC3)C(C3)C2(O)OC1(C(C)C)NC(=O)C4CN(C)C5CC(=C6)c7c(N6)cccc7C5C4
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)? Yes
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) Unknown Quantity

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) 182
MITI probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.02626

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.31
Log BAF T2MTL predicted by Gobas 2.12997715483797
Log BCF 5% T2LTL predicted by Gobas 2.0208812894948
Log BCF Max predicted by OASIS 2.66637548921205
Log BCF predicted by BCFWIN 1.845

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 2.136
Toxicity to fish (LC50 in mg/l) as predicted by Aster 4.238996
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 2.136
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.66E-001

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