dimethomorph

Synonyms: "dimethomorph E", "E-dimethomorph", "(E)-dimethomorph", "(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one"

Source: dimethomorph is a systemic fungicide; which protects plants from molds, as well as killing molds on plants and preventing their spread.

Identifiers:

IUPAC Name: (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
CAS Number: 110488-70-5
PubChem ID: 5889665
InChiKey: QNBTYORWCCMPQP-NBVRZTHBSA-N
Canonical SMILES: COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC

Structural Properties:

Molecular Formula: C21H22ClNO4
Molecular Weight: 387,857

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 27

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CTD (Comparative Toxicogenomics Database)

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


Orton F, Rosivatz E, Scholze M, Kortenkamp A. 2011. Widely used pesticides with previously unknown endocrine activity revealed as in vitro antiandrogens. Environ Health Perspect 119(6):794-800.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer