diethofencarb

Synonyms: "isopropyl (3,4-diethoxyphenyl)carbamate", "diethofencarb", "isopropyl 3,4-diethoxycarbanilate", "isopropyl 3,4-diethoxyphenylcarbamate", "isopropyl N-(3,4-diethoxyphenyl)carbamate", "1-methylethyl (3,4-diethoxyphenyl)carbamate", "propan-2-yl N-(3,4-diethoxyphenyl)carbamate", "Diethofenacarb".

Source: Diethofencarb is a systemic fungicide and functions both protectively and curatively.

Identifiers:

IUPAC Name: propan-2-yl N-(3,4-diethoxyphenyl)carbamate
CAS Number: 87130-20-9
PubChem ID: 91742
InChiKey: LNJNFVJKDJYTEU-UHFFFAOYSA-N
Canonical SMILES: CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC

Structural Properties:

Molecular Formula: C₁₄H₂₁NO₄
Molecular Weight: 267.325

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 19

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Takeuchi S, Iida M, Yabushita H, Matsuda T, Kojima H. 2008. In vitro screening for aryl hydrocarbon receptor agonistic activity in 200 pesticides using a highly sensitive reporter cell line, DR-EcoScreen cells, and in vivo mouse liver cytochrome P450-1A induction by propanil, diuron and linuron. Chemosphere 74(1):155-165. DOI: 10.1016/j.chemosphere.2008.08.015. URL: https://www.sciencedirect.com/science/article/pii/S0045653508010588.