Diethylstilbestrol
Synonyms: diethylstilbestrol, "Stilbestrol", "Stilboestrol", "Distilbene", "Estrobene", "Agostilben", "Estromenin", "Stilboestroform", "Stilbetin", "Antigestil", "Vagestrol", "Synestrin", "Palestrol", "Fonatol", "Diethylstilbesterol", "Stilbestrone", "Oestromensyl", "Oestrogenine", "Menostilbeen", "Synthoestrin", "Oestromienin", "Synthofolin", "Oestromenin", "Iscovesco", "Estrosyn", "Domestrol", "Comestrol", "Syntofolin", "Pabestrol", "Stilbofolin", "Stilboefral", "Sexocretin", "Milestrol", "Grafestrol", "Dyestrol", "Cyren A", "Microest", "Serral", "Makarol", "Micrest", "Diastyl", "Stilkap", "Cyren", "Sibol", "Bufon", "Desma"
Source: Diethylstilbestrol is a synthetic non-steroidal oestrogen hormone which due to its carcinogenic potential is only justified in the management of malignant disease.
Identifiers:
IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CAS Number: 56-53-1
PubChem ID: 448537
InChiKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Structural Properties:
Molecular Formula: C18H20O2
Molecular Weight: 268,300
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20
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Evidence Supporting This Chemical as an Emerging Contaminant
Yan, Z., Yang, X., Lu, G., Liu, J., Xie, Z., & Wu, D. (2014). Potential environmental implications of emerging organic contaminants in Taihu Lake, China: comparison of two ecotoxicological assessment approaches. Science of the Total Environment, 470, 171-179.
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