Procymidone

Synonyms: Procymidone, "Dicyclidine", "Sumilex", "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione", "Sumisclex", "Procymidox", "Procymidon", "EINECS 251-233-1"

Source: procymidone is a systemic fungicide used on lupins, grapes, stone fruit, strawberries and some vegetables.

Identifiers:

IUPAC Name: 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS Number: 32809-16-8
PubChem ID: 36242
InChiKey: QXJKBPAVAHBARF-UHFFFAOYSA-N
Canonical SMILES: CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C

Structural Properties:

Molecular Formula: C₁₃H₁₁Cl₂NO₂
Molecular Weight: 284,130

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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2D structure (.sdf)
3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Meffe, R., & de Bustamante, I. (2014). Emerging organic contaminants in surface water and groundwater: a first overview of the situation in Italy. Science of the Total Environment, 481, 280-295.

External Links

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2D-structure

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