Mestranol

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(New page: '''Mestranol''' Pubchem(6291) The 3-methyl ether of ETHINYL ESTRADIOL. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL CONT...)
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'''Mestranol'''
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Pubchem(6291)
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The 3-methyl ether of ETHINYL ESTRADIOL. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL CONTRACEPTIVES.
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KEGG(C07618,D00575)
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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
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<jmol><jmolApplet>
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|150.5
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<size>200</size>
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|deg C
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<script>spin on;color atoms amino;</script>
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|  
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<uploadedFileContents>NPH187.SDF</uploadedFileContents>
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|EXP
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<color>black</color>
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|-
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</jmolApplet>
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|log P (octanol-water)
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</jmol>
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|4.680
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</td></tr></table>
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|(none)
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==Description==
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| 
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The 3-methyl ether of ETHINYL ESTRADIOL. It must be demethylated to be  biologically active. It is used as the estrogen component of many  combination ORAL CONTRACEPTIVES.
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|EST
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==General Properties==
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|-
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|Atmospheric OH Rate Constant
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|9.04E-11
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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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Organism  Test Type  Route  Reported Dose (Normalized Dose)  Effect  Source
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|mouse
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|LD50
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|intraperitoneal
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|> 3200mg/kg (3200mg/kg)
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|SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
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<b>*Molecular Weight</b>
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BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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310.43
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SKIN AND APPENDAGES (SKIN): HAIR: OTHER
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|Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970.
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|-
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|mouse
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|LD50
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|oral
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|> 10gm/kg (10000mg/kg)
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|SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
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<b>*Molecular Formula</b>
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BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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C<sub>2</sub><sub>1</sub>H<sub>2</sub><sub>6</sub>O<sub>2</sub>
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SKIN AND APPENDAGES (SKIN): HAIR: OTHER
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|Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970.
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|-
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|mouse
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|LD50
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|subcutaneous
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|2500mg/kg (2500mg/kg)
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|SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
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<b>*IUPAC NAME</b>
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SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
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(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
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SKIN AND APPENDAGES (SKIN): HAIR: OTHER
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|Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970.
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|-
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|rat
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|LD50
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|intraperitoneal
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|> 3gm/kg (3000mg/kg)
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|BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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<b>*Canonical Smiles</b>
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GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
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CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
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SKIN AND APPENDAGES (SKIN): HAIR: OTHER
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|Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970.
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|-
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|rat
 +
|LD50
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|oral
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|> 10gm/kg (10000mg/kg)  
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|  
 +
|Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970.
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|-
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|rat
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|LD50
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|subcutaneous
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|> 5gm/kg (5000mg/kg)
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|BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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<b>*Isomeric Smiles</b>
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GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
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C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC
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SKIN AND APPENDAGES (SKIN): HAIR: OTHER
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|Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970.
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|-
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==PhysioChemical Properties==
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-
 
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<b>*Melting Point</b>
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-
 
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150.5(EXP)
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<b>*LogP</b>
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-
 
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4.68(EST)
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-
 
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<b>*Water Solubility</b>
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-
 
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==External Links==
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*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6291]Pubchem
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*[http://www.genome.jp/dbget-bin/www_bget?compound+C07618]KEGG Compound
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*[http://www.genome.jp/dbget-bin/www_bget?drug+D00575]KEGG Drug
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*[http://www.drugbank.ca/drugs/DB01357]Drugbank
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-
 
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[[Categories:Hormones]]
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Revision as of 06:49, 31 October 2008

Mestranol Pubchem(6291) The 3-methyl ether of ETHINYL ESTRADIOL. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL CONTRACEPTIVES.

KEGG(C07618,D00575)

Activity Estrogen

Physical Property Value Units Temp (deg C) Source |Melting Point |150.5 |deg C | |EXP |- |log P (octanol-water) |4.680 |(none) | |EST |- |Atmospheric OH Rate Constant |9.04E-11 |cm3/molecule-sec |25 |EST |- Organism Test Type Route Reported Dose (Normalized Dose) Effect Source |mouse |LD50 |intraperitoneal |> 3200mg/kg (3200mg/kg) |SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER |Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970. |- |mouse |LD50 |oral |> 10gm/kg (10000mg/kg) |SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER |Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970. |- |mouse |LD50 |subcutaneous |2500mg/kg (2500mg/kg) |SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER |Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970. |- |rat |LD50 |intraperitoneal |> 3gm/kg (3000mg/kg) |BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER |Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970. |- |rat |LD50 |oral |> 10gm/kg (10000mg/kg) | |Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970. |- |rat |LD50 |subcutaneous |> 5gm/kg (5000mg/kg) |BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER |Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 217, 1970. |-

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