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captan

Identification (Source:EPA,EU)

ID	585
Name	captan
CAS	133-06-2
IUPAC
Inchi	InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
CIPAC	40
EPA Code	081301
Formula	C9H8Cl3NO2S
SMILES	N1(C([C@@H]2CC=CC[C@@H]2C1=O)=O)SC(Cl)(Cl)Cl
Status	Approved

Classification

Mode of Action	Non-systemic with protective and curative action
Pesticide Type	Fungicide, Bactericide
Chemical Group	Phthalimide
Classification	phthalimide fungicides

Properties (Source:PubChem)

Molecular Weight	300.61
Physical State	Dirty white powder
AlogP	4.022
H-Bond Donor	0
H-Bond Acceptor	3
Surface Area	248.2
Polar Surface Area	62.68

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Acute	72 hour	EC50, growth	1.18 mg l-1
Algae	Chronic	96 hour	NOEC, growth	> 10 mg l-1
Aquatic invertebrates	Chronic	21 day	NOEC	0.56 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	7.1 mg l-1
Aquatic plants	Acute	7 day	EC50, biomass	12.7 mg l-1
Birds	Acute		LD50	> 2000 mg kg-1
Birds	Short term dietary		LC50/LD50	> 1040 mg/kg bw/day
Earthworms	Acute	14 day	LD50	> 519 mg kg-1
Earthworms	Chronic	14 day	NOEC, reproduction	12.2 mg kg-1
Fish	Acute	96 hour	LC50	0.186 mg l-1
Fish	Chronic	21 day	NOEC	0.18 mg l-1
Honeybees	Acute	48 hour	LD50	> 100 μg bee-1
Mammals	Acute oral		LD50	> 2000 mg kg-1
Mammals	Short term dietary		NOEL	60 mg kg-1
	Bio-concentration factor		BCF	140
	Bio-concentration factor		CT50	2 days

Related targets

Target Name	RScore (About this table)
RNase	531(6,7,9,11)	Details
Acetylcholinesterase	168(2,2,3,3)	Details
glutathione transferase	162(2,2,2,2)	Details
polymerases	162(2,2,2,2)	Details
cytochrome P450 (protein family or complex)	138(1,2,5,13)	Details
GSTP1 1	88(1,1,2,3)	Details
cis 4	87(1,1,2,2)	Details
estrogen receptor	86(1,1,1,6)	Details
CYP3A	84(1,1,1,4)	Details
thymidine kinase	81(1,1,1,1)	Details
ribonuclease	68(0,2,3,3)	Details
Bravo	41(0,1,2,6)	Details
ATPase	35(0,1,1,5)	Details
SRBC	32(0,1,1,2)	Details
FUS1	31(0,1,1,1)	Details
chitinase	31(0,1,1,1)	Details
glutathione S transferase	21(0,0,3,6)	Details

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