Ethinyl Estradiol

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(New page: '''Ethinyl Estradiol''' '''Pubchem(5991)''' A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often...)
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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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'''Activity''' Estrogen
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<table align='right' border=1>
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Physical Property  Value  Units  Temp (deg C)  Source
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<tr><td>
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Melting Point 183 deg C   EXP
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<jmol><jmolApplet>
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log P (octanol-water) 3.67 (none)   EXP
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<size>200</size>
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Water Solubility 11.3 mg/L 27 EXP
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<script>spin on;color atoms amino;</script>
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Vapor Pressure 2.67E-09 mm Hg 25 EST
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<uploadedFileContents>NPH164.SDF</uploadedFileContents>
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Henry's Law Constant 7.94E-12 atm-m3/mole 25 EST
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<color>black</color>
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Atmospheric OH Rate Constant 1.25E-10 cm3/molecule-sec 25 EST
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</jmolApplet>
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</jmol>
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</td></tr></table>
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==Description==
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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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==General Properties==
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<b>*Molecular Weight</b>
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Organism  Test Type  Route  Reported Dose (Normalized Dose)  Effect  Source
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mouse LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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296.4
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BEHAVIORAL: ATAXIA
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<b>*Molecular Formula</b>
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KIDNEY, URETER, AND BLADDER: OTHER CHANGES Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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mouse LD50 oral 950mg/kg (950mg/kg)   Drugs in Japan Vol. -, Pg. 222, 1995.
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mouse LD50 subcutaneous > 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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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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BLOOD: HEMORRHAGE Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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rat LD50 intraperitoneal 471mg/kg (471mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
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<b>*IUPAC NAME</b>
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BEHAVIORAL: ATAXIA
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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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KIDNEY, URETER, AND BLADDER: OTHER CHANGES Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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rat LD50 oral 960mg/kg (960mg/kg)   Drugs in Japan Vol. -, Pg. 222, 1995.
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rat LD50 subcutaneous > 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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<b>*Canonical Smiles</b>
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BLOOD: HEMORRHAGE Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990.
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women TDLo oral 21mg/kg/21D-I (21mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA
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CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
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GASTROINTESTINAL: NAUSEA OR VOMITING Lancet. Vol. 1, Pg. 1479, 1973.
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Link to PubMed
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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]]
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Revision as of 08:39, 24 October 2008

Ethinyl Estradiol Pubchem(5991)

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.

KEGG PATHWAY(C07534,D00554) Category Hormone Activity Estrogen

Physical Property Value Units Temp (deg C) Source Melting Point 183 deg C EXP log P (octanol-water) 3.67 (none) EXP Water Solubility 11.3 mg/L 27 EXP Vapor Pressure 2.67E-09 mm Hg 25 EST Henry's Law Constant 7.94E-12 atm-m3/mole 25 EST Atmospheric OH Rate Constant 1.25E-10 cm3/molecule-sec 25 EST

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source mouse LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990. mouse LD50 oral 950mg/kg (950mg/kg) Drugs in Japan Vol. -, Pg. 222, 1995. mouse LD50 subcutaneous > 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990. rat LD50 intraperitoneal 471mg/kg (471mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990. rat LD50 oral 960mg/kg (960mg/kg) Drugs in Japan Vol. -, Pg. 222, 1995. rat LD50 subcutaneous > 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 18, Pg. 2583, 1990. women TDLo oral 21mg/kg/21D-I (21mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: NAUSEA OR VOMITING Lancet. Vol. 1, Pg. 1479, 1973. Link to PubMed

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