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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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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.

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