Ethinyl Estradiol

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'''Ethinyl Estradiol'''
 
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'''Pubchem(5991)'''
 
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A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.
 
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'''KEGG PATHWAY'''(C07534,D00554)
 
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'''Category'''  Hormone
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<table align='right' border=1>
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<tr><td>
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'''Activity''' Estrogen
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<jmol><jmolApplet>
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<size>200</size>
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<script>spin on;color atoms amino;</script>
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<uploadedFileContents>NPH164.SDF</uploadedFileContents>
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<color>black</color>
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</jmolApplet>
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</jmol>
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</td></tr></table>
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==Description==
 +
A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl   substitution. It has high estrogenic potency when administered orally,  and is often used as the estrogenic component in ORAL  CONTRACEPTIVES.
 +
==General Properties==
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{| border="1;width:100%; height:200px;style=text-align:center"
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<b>*Molecular Weight</b>
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|+'''Table I:'''
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|-
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! style="background:brown; color:white" |Physical Property
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! style="background:brown; color:white" |Value
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! style="background:brown; color:white" |Units
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! style="background:brown; color:white" |Temp (deg C)
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! style="background:brown; color:white" |Source
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|-
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|Melting Point
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|183
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|deg C  
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|EXP
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|-
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|log P (octanol-water)
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|3.67
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|(none)  
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|EXP
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|-
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|Water Solubility
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|11.3
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|mg/L
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|27
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|EXP
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|-
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|Vapor Pressure
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|2.67E-09
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|mm Hg
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|25
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|EST
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|-
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|Henry's Law Constant
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|7.94E-12
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|atm-m3/mole
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|25
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|EST
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|-
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|Atmospheric OH Rate Constant
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|1.25E-10
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|cm3/molecule-sec
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|25
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|EST
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|-
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|}
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{| border="1;width:100%; height:200px;style=text-align:center"
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|+'''Table I:'''
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|-
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! style="background:brown; color:white" |Organism
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! style="background:brown; color:white" |Test Type 
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! style="background:brown; color:white" |Route 
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! style="background:brown; color:white" |Reported Dose (Normalized Dose)
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! style="background:brown; color:white" |Effect
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! style="background:brown; color:white" |Source
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|-
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|mouse
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|LD50
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|intraperitoneal
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|250mg/kg (250mg/kg)
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|BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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BEHAVIORAL: ATAXIA
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296.4
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KIDNEY, URETER, AND BLADDER: OTHER CHANGES
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|Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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|-
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|mouse
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|LD50
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|oral
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|950mg/kg (950mg/kg)
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|  
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|Drugs in Japan Vol. -, Pg. 222, 1995.
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|-
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|mouse
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|LD50
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|subcutaneous
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|> 3gm/kg (3000mg/kg)
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|BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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|BLOOD: HEMORRHAGE Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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|-
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|rat
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|LD50
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|intraperitoneal
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|471mg/kg (471mg/kg)
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|BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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BEHAVIORAL: ATAXIA
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<b>*Molecular Formula</b>
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KIDNEY, URETER, AND BLADDER: OTHER CHANGES
+
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|Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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|-
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|rat
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|LD50
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|oral
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|960mg/kg (960mg/kg)
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| 
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|Drugs in Japan Vol. -, Pg. 222, 1995.
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|-
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|rat
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|LD50
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|subcutaneous
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|> 2gm/kg (2000mg/kg)
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|BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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BLOOD: HEMORRHAGE
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C<sub>2</sub><sub>0</sub>H<sub>2</sub><sub>4</sub>O<sub>2</sub>
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|Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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|-
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|women
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|TDLo
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|oral
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|21mg/kg/21D-I (21mg/kg)
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|LUNGS, THORAX, OR RESPIRATION: DYSPNEA
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GASTROINTESTINAL: NAUSEA OR VOMITING
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<b>*IUPAC NAME</b>
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|Lancet. Vol. 1, Pg. 1479, 1973.
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|-
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(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
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|}
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<b>*Canonical Smiles</b>
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CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
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<b>*Isomeric Smiles</b>
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C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
 +
 
 +
 
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==PhysioChemical Properties==
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<b>*Melting Point</b>
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183(EXP)
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<b>*LogP</b>
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3.67(EXP)
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<b>*Water Solubility</b>
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11.3(EXP) at 27C
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==External Links==
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*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5991]Pubchem
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*[http://www.genome.jp/dbget-bin/www_bget?compound+C07534]KEGG Compound
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*[http://www.genome.jp/dbget-bin/www_bget?drug+D00554]KEGG Drug
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*[http://www.drugbank.ca/drugs/DB00977]Drugbank
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 +
[[Categories:Hormones]]

Revision as of 00:00, 15 January 2001


Contents

Description

A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.

General Properties

*Molecular Weight

296.4

*Molecular Formula

C20H24O2

*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

*Canonical Smiles

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

*Isomeric Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O


PhysioChemical Properties

*Melting Point

183(EXP)

*LogP

3.67(EXP)

*Water Solubility

11.3(EXP) at 27C

External Links

Categories:Hormones

Retrieved from "http://140949.jxltd.asia/drugpedia/index.php/Ethinyl_Estradiol"