indanestrol

Synonyms: "1-ethyl-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1H-inden-5-ol"

Source: indanestrol is a derivative of the synthetic estrogen diethylstilbestrol (DES).

Identifiers:

IUPAC Name: 1-ethyl-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-1H-inden-5-ol
CAS Number: 71855-45-3
PubChem ID: 156224
InChiKey: UVOBXMBJOYYZST-UHFFFAOYSA-N
Canonical SMILES: CCC1C(C(C2=C1C=CC(=C2)O)C)C3=CC=C(C=C3)O

Structural Properties:

Molecular Formula: C18H20O2
Molecular Weight: 268.350

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

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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
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Soto AM, Sonnenschein C, Chung KL, Fernandez MF, Olea N, Serrano FO. 1995. The E-SCREEN assay as a tool to identify estrogens: An update on estrogenic environmental pollutants. Environ Health Perspect 103 (Suppl. 7):113-122.

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