o,p'-DDA

Synonyms: "2,2-(2-chlorophenyl-4'-chlorophenyl)acetic acid", "o,p'-dichlorodiphenylacetic acid", "2,2-di(o,p'-chlorophenyl) acetic acid"

Source: o,p'-DDA is a metabolite of the chemotherapy drug mitotane.

Identifiers:

IUPAC Name: 2-(2-chlorophenyl)-2-(4-chlorophenyl)acetic acid
CAS Number: 34113-46-7
PubChem ID: 36678
InChiKey: DHPZADPFGZNIIV-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(=O)O)Cl

Structural Properties:

Molecular Formula: C14H10Cl2O2
Molecular Weight: 281.134

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Bitman J, Cecil HC, Harris SJ, Feil VJ. 1978. Estrogenic activity of o,p'-DDT metabolites and related compounds. J Agric Food Chem 26(1):149-151.

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