Chemical Properties of Mestranol (CAS 72-33-3)

Mestranol

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InChI
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17?,18?,19?,20?,21-/m0/s1
InChI Key
IMSSROKUHAOUJS-ALAWOQLPSA-N
Formula
C21H26O2
SMILES
C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C
Molecular Weight1
310.43
CAS
72-33-3
Other Names
  • 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17«alpha»)-
  • 19-Nor-17«alpha»-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-
  • «delta»-MVE
  • Devocin
  • Ethynylestradiol methyl ether
  • Ethynylestradiol 3-methyl ether
  • EE 3ME
  • Inostral
  • Norquen
  • Ovastol
  • 17«alpha»-Ethinylestradiol 3-Methyl ether
  • 17«alpha»-Ethynylestradiol 3-methyl ether
  • 17-Ethynylestradiol 3-methyl ether
  • 3-Methoxy-17«alpha»-ethynylestradiol
  • 3-Methoxyethynylestradiol
  • 3-O-Methylethynylestradiol
  • (+)-17«alpha»-Ethynyl-17«beta»-hydroxy-3-methoxy-1,3,5(10)-estratriene
  • (+)-17«alpha»-Ethynyl-17«beta»-hydroxy-3-methoxy-1,3,5(10)-oestratriene
  • Estra-1,3,5(10)-trien-17«beta»-ol, 17-ethynyl-3-methoxy-
  • Ethinyloestradiol 3-methyl ether
  • Ethynyloestradiol 3-methyl ether
  • 17«alpha»-Ethinyl oestradiol 3-methyl ether
  • 17«alpha»-Ethynyl-3-methoxy-17«beta»-hydroxy-«DELTA»1,3,5(10)-estratriene
  • 17«alpha»-Ethynyl-3-methoxy-17«beta»-hydroxy-«DELTA»1,3,5(10)-oestratriene
  • 17«alpha»-Ethynyloestradiol 3-methyl ether
  • 17«alpha»-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-
  • 17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17«beta»-ol
  • 17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17«beta»-ol
  • 3-Methoxy-17«alpha»-ethinyloestradiol
  • 3-Methoxy-17«alpha»-ethynyl-1,3,5(10)-estratrien-17«beta»-ol
  • 3-Methoxy-17«alpha»-ethynyl-1,3,5(10)-oestratrien-17«beta»-ol
  • 3-Methoxy-17«alpha»-ethynyloestradiol
  • 3-Methoxy-19-nor-17«alpha»-pregna-1,3,5(10)-trien-20-yn-17-ol
  • 3,17-«beta»-Dihydroxy-17-«alpha»-ethynyl-1,3,5(10)-estratriene-3-methyl ether
  • Estra-1,3,5(10)-trien-17-«beta»-ol, 17-«alpha»-ethynyl-3-methoxy-
  • 17-«alpha»-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-«beta»-ol
  • 17«alpha»-Ethynyloestradiol methyl ether
  • 17-Ethynyloestradiol 3-methyl ether
  • 3-Methoxyethynyloestradiol
  • 3-Methoxy-17-ethynyloestradiol-17-«beta»
  • 3-Methoxy-17-«alpha»-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
  • (17-«alpha»)-3-METHOXY-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL
  • 3-Methylethynyloestradiol
  • 3-Methoxy-19-nor-17«alpha»-pregna-1,3,5(10)-trien-20-yn-17«beta»-ol
  • Menophase
  • 3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol (mestranol)
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Physical Properties

Property Value Unit Source
Δf 331.99 kJ/mol Joback Calculated Property
Δfgas -59.85 kJ/mol Joback Calculated Property
Δfus 31.41 kJ/mol Joback Calculated Property
Δvap 82.05 kJ/mol Joback Calculated Property
log10WS -5.48 Crippen Calculated Property
logPoct/wat 3.916 Crippen Calculated Property
McVol 253.550 ml/mol McGowan Calculated Property
Pc 1982.35 kPa Joback Calculated Property
Inp [2612.00; 2612.00]   Show Hide
Inp 2612.00 NIST
Inp 2612.00 NIST
Tboil 841.14 K Joback Calculated Property
Tc 1075.44 K Joback Calculated Property
Tfus 427.00 ± 1.00 K NIST
Vc 0.952 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [835.27; 978.99] J/mol×K [841.14; 1075.44] Show Hide
Cp,gas 835.27 J/mol×K 841.14 Joback Calculated Property
Cp,gas 857.34 J/mol×K 880.19 Joback Calculated Property
Cp,gas 879.70 J/mol×K 919.24 Joback Calculated Property
Cp,gas 902.71 J/mol×K 958.29 Joback Calculated Property
Cp,gas 926.69 J/mol×K 997.34 Joback Calculated Property
Cp,gas 952.01 J/mol×K 1036.39 Joback Calculated Property
Cp,gas 978.99 J/mol×K 1075.44 Joback Calculated Property
ΔfusH 34.55 kJ/mol 424.10 NIST

Similar Compounds

17«alpha»-ethynylestradiol, 3-formate. 17«alpha»-ethynylestradiol, 3-acetate. 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol. 17«alpha»-ethynylestradiol, 3-propionate. 1,3,5(10)-Oestratrien-17«alpha»-ol, 3-methoxy. Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-. 17«alpha»-ethynylestradiol, 3-butyrate. Ethinyl Estradiol. 17«beta»-Oestradiol, 3-methoxy, TFA. 17«alpha»-Ethynylestradiol, 3-(tert-butyldimethylsilyl) ether. «alpha»-Estradiol, bis(trifluoroacetate). Estradiol, TFA. Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, bis(trifluoroacetate). Estriol, tris(trifluoroacetate). 16-Epiestriol, tris(trifluoroacetate).

Find more compounds similar to Mestranol.

Sources

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