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methallenestril
Sign in to saveMethallenestril () (brand names Cur-men, Ercostrol, Geklimon, Novestrine, Vallestril), also known as methallenoestril () and as methallenestrol, as well as '''Horeau's acid, is a synthetic nonsteroidal estrogen and a derivative of allenolic acid and allenestrol (specifically, a methyl ether of it) that was formerly used to treat menstrual issues but is now no longer marketed. It is a seco-analogue of bisdehydrodoisynolic acid, and although methallenestril is potently estrogenic in rats, in humans it is only weakly so in comparison. Vallestril''' was a brand of methallenestril issued by G. D. S
In the Vinony graph
Vinony's link graph records 595 inbound references to methallenestril, and connects out to DDT, (+)-catechin and abiraterone acetate.
It is catalogued under topics including Abandoned drugs, Carboxylic acids and Chemical pages without DrugBank identifier.
Vinony links it to 9 Wikipedia language editions.
Key facts
- Drug.verifiedrevid
- 437205113
- Drug.IUPAC_name
- 3-(6-Methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
- Drug.image
- Methallenestril.png
- Drug.image_class
- skin-invert-image
- Drug.width
- 250px
- Drug.tradename
- Cur-men, Ercostrol, Geklimon, Novestrine, Vallestril (also spelled Vallestrol or Vallestryl)
- Drug.routes_of_administration
- By mouth
- Drug.class
- Nonsteroidal estrogen
- Drug.CAS_number
- 517-18-0
- Drug.UNII
- XL025389JS
- Drug.ATC_prefix
- G03
- Drug.ATC_suffix
- CB03
- Drug.PubChem
- 10599
- Drug.ChemSpiderID
- 10154
- Drug.synonyms
- Methallenoestril; Methallenestrol; Methallenoestrol; Horeau's acid; Allenestrol 6-methyl ether; α,α-Dimethyl-β-ethylallenolic acid 6-methyl ether; β-Ethyl-6-methoxy-α,α-dimethyl-2-naphthalenepropionic acid
- Drug.C
- 18
- Drug.H
- 22
- Drug.O
- 3
via Wikipedia infobox
Chemical data
- Formula
- C18H22O3
- Molecular weight
- 286.4 g/mol
- IUPAC name
- 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
- SMILES
- CCC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C)(C)C(=O)O
- InChIKey
- KHLJKRBMZVNZOC-UHFFFAOYSA-N
- XLogP
- 4.7
- Polar surface area
- 46.5 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- carboxylic acid
- Mass
- 286.157
Show 3 more facts
- canonical SMILES
- CCC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C)(C)C(=O)O
- chemical formula
- C₁₈H₂₂O₃
- defined daily dose
- 9
Sources (7)
via Wikidata · CC0
~2 min read
Encyclopedic overview
3 sectionsContents
- Synthesis
- See also
- References
Methallenestril () (brand names Cur-men, Ercostrol, Geklimon, Novestrine, Vallestril), also known as methallenoestril () and as methallenestrol, as well as '''Horeau's acid, is a synthetic nonsteroidal estrogen and a derivative of allenolic acid and allenestrol (specifically, a methyl ether of it) that was formerly used to treat menstrual issues but is now no longer marketed. It is a seco-analogue of bisdehydrodoisynolic acid, and although methallenestril is potently estrogenic in rats, in humans it is only weakly so in comparison. Vallestril was a brand of methallenestril issued by G. D. Searle & Company in the 1950s. Methallenestril is taken by mouth. By the oral route, a dose of 25 mg methallenestril is approximately equivalent to 1 mg diethylstilbestrol, 4 mg dienestrol, 20 mg hexestrol, 25 mg estrone, 2.5 mg conjugated estrogens, and 0.05 mg ethinylestradiol.
==Synthesis== The chemical synthesis has been described: Patent: Unavailable methods: center|500px The Grignard reaction between 2-propionyl-6-methoxynaphthalene (promen) [2700-47-2] (1) and Ethyl 2-bromoisobutyrate [600-00-0] (2) occurs to give Ethyl beta-ethyl-beta-hydroxy-6-methoxy-alpha,alpha-dimethylnaphthalene-2-propionate [85536-81-8] (3). Dehydration of the carbinol in aqueous lye may be accompanied by saponification of the ester (although not in the patented version) to give [60533-05-3] (4). Re-esterification with diazomethane gave (5). Catalytic hydrogenation of the olefin led to PC608080 (6). Saponification of the ester completed the synthesis of Methallenestril (7''').
Excerpted from Wikipedia’s “methallenestril” article, available under the CC BY-SA 4.0 licence.
Gallery (2)
Available in 9 languages
via Wikidata sitelinks · CC0