metolachlor

Synonyms: "yibingjiacaoan", "pennant", "codal", "metelilachlor", "humextra"

Source: metolachlor is an organic compound that is widely used as a herbicide.

Identifiers:

IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CAS Number: 51218-45-2
PubChem ID: 4169
InChiKey: WVQBLGZPHOPPFO-UHFFFAOYSA-N
Canonical SMILES: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C

Structural Properties:

Molecular Formula: C₁₅H₂₂ClNO₂
Molecular Weight: 283.794

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
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

Lemaire G, Mnif W, Pascussi JM, Pillon A, Rabenoelina F, Fenet H, Gomez E, Casellas C, Nicolas JC, Cavailles V, Duchesne MJ, Balaguer P. 2006. Identification of new human pregnane X receptor ligands among pesticides using a stable reporter cell system. Toxicol Sci 91(2):501-509.