Allenestrol

Allenestrol, or allenoestrol, also known as α,α-dimethyl-β-ethylallenolic acid or as methallenestrilphenol, is a synthetic, nonsteroidal estrogen and a derivative of allenolic acid that was never marketed.[1][2][3] A methyl ether of allenestrol, methallenestril (methallenestrol), is also an estrogen, but, in contrast to allenestrol, has been marketed.[4]

Allenestrol
Clinical data
Other namesAllenestril; Allenoestril; α,α-Dimethyl-β-ethylallenolic acid; Dimethylethylallenolic acid; Methallenestrilphenol; Methallenestrolphenol
Identifiers
IUPAC name
  • 3-(6-Hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
CAS Number
PubChem CID
UNII
KEGG
ChEBI
Chemical and physical data
FormulaC17H20O3
Molar mass272.344 g·mol−1
3D model (JSmol)
SMILES
  • CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O
InChI
  • InChI=1S/C17H20O3/c1-4-15(17(2,3)16(19)20)13-6-5-12-10-14(18)8-7-11(12)9-13/h5-10,15,18H,4H2,1-3H3,(H,19,20)
  • Key:OKLBSPJQRWHBMY-UHFFFAOYSA-N

See also

References
  1. Negwer M, Scharnow HG (4 October 2001). Organic-chemical drugs and their synonyms: (an international survey). Wiley-VCH. ISBN 978-3-527-30247-5. C17H2003. 15372-37-9. 2,2-Dimethyl-3-(6-hydroxy-2-naphthyl)valeric acid = α,α-Dimethyl-β-ethylallenolic acid = (±)-β-Ethyl-6-hydroxy-α,α-dimethyl-2-naphthalenepropanoic acid (•) S: Allenestrol, Allenoestrol. U: Estrogen.
  2. Wermuth CG (11 June 2003). The Practice of Medicinal Chemistry. Academic Press. pp. 216–. ISBN 978-0-08-049777-8.
  3. Vermuth CG, Aldous D, Raboisson P, Rognan D (1 July 2015). The Practice of Medicinal Chemistry. Elsevier Science. pp. 245–. ISBN 978-0-12-417213-5.
  4. Elks J (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. pp. 781–. ISBN 978-1-4757-2085-3.


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