Ethinyl estradiol

Synonyms: ethinyl estradiol, "Ethynylestradiol", "Ethynyl estradiol", "ETHINYLESTRADIOL", "57-63-6", "Ethinyloestradiol", "Ginestrene", "17-Ethinylestradiol", "Progynon C", "Novestrol", "Etistradiol", "Etinoestryl", "Ethinoral", "Spanestrin", "Follicoral", "Etinestrol", "Eticyclol", "Orestralyn", "Etinestryl", "Eticyclin", "Primogyn", "Menolyn", "Amenoron", "Lynoral", "Ethidol", "Estorals", "Linoral", "Inestra", "Estoral", "Ertonyl", "Dyloform", "Oradiol", "Estinyl", "Estigyn", "Esteed", "Neo-Estrone", "Primogyn M", "Primogyn C", "Nogest-S", "Eston-E", "Feminone", "Palonyl", "Perovex", "17alpha-Ethynylestradiol", "17-Ethynylestradiol", "Diogyn E".

Source: Ethinyl Estradiol Is Used In Contraception, Post Menopausal Osteoporosis (Porous Bones), Hormone Replacement Therapy (Hrt), Failure Of Ovarian Development And Prostate Cancer.

Identifiers:

IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CAS Number: 57-63-6
PubChem ID: 5991
InChiKey: BFPYWIDHMRZLRN-SLHNCBLASA-N
Canonical SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

Structural Properties:

Molecular Formula: C₂₀H₂₄O₂
Molecular Weight: 296.4

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 22

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Evidence Supporting This Chemical as an Emerging Contaminant

Esteban, S., Moreno-Merino, L., Matellanes, R., Catal?, M., Gorga, M., Petrovic, M., L?pez de Alda, M., Barcel?, D., Silva, A., Dur?n, J.J., L?pez-Mart?nez, J., Valc?rcel, Y. (2016). Presence of endocrine disruptors in fresh water in the northern Antarctic Peninsula region. Environmental Research147, 179?192.

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