captan

Synonyms: "N-[(Trichloromethyl)thio]tetrahydrophthalimide", "2-((Trichloromethyl)thio)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione", "Orthocide", "Amercide", "Vondcaptan", "Captane", "Neracid", "Merpan", "Malipur", "Captex", "Captaf", "Kaptan", "Le captane", "Zenecal", "Glyodex 37-22", "Venturin", "Captan solution", "Vancide 89", "Orthocide 75", "SR 406", "Trimegol", "Aacaptan", "Vanicide", "Osocide", "Hexacap", "Bangton", "Captab", "Ugecap", "Stauffer captan", "ENT 26,538", "Captan 90-concentrate (solid)", "Vangard K", "Orthocide 83", "Orthocide 50", "Orthocide 406", "Orthocide 7.5", "Ortocid 50", "Vancide".

Source: Captan is a commonly used fungicide belonging to the chemical group sulfenimide.

Identifiers:

IUPAC Name: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CAS Number: 133-06-2
PubChem ID: 8606
InChiKey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
Canonical SMILES: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl

Structural Properties:

Molecular Formula: C₉H₈Cl₃NO₂S
Molecular Weight: 300.578

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 16

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Okubo T, Yokoyama Y, Kano K, Soya Y, Kano I. 2004. Estimation of estrogenic and antiestrogenic activities of selected pesticides by MCF-7 cell proliferation assay. Arch Environ Contam Toxicol 46(4):445-453. DOI: 10.1007/s00244-003-3017-6. URL: https://link.springer.com/article/10.1007/s00244-003-3017-6.