SDF/Mol File of Ethinyl estradiol (C20H24O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Ethinyl estradiol Molecule

• Chemical structure of ethinyl estradiol

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of ethinyl estradiol is available in chemical structure page of ethinyl estradiol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of ethinyl estradiol

  The molecular weight of ethinyl estradiol is available in molecular weight page of ethinyl estradiol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of ethinyl estradiol

  The chemical formula of ethinyl estradiol is given in chemical formula page of ethinyl estradiol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of ethinyl estradiol

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of ethinyl estradiol is:

  InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

  It can provide a standard way to encode the molecular information of ethinyl estradiol to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of ethinyl estradiol is:

  InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N

  The InChIKey may allow easier web searches for ethinyl estradiol, but it needs to be linked to the full InChI to get back to the original structure of the ethinyl estradiol since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of ethinyl estradiol

  The ethinyl estradiol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of ethinyl estradiol including the registry numbers are listed below, if available:

  • 17alpha-Ethynyloestradiol-17beta; 17beta-Estradiol, 17-ethynyl-
  • 17alpha-Ethynyloestradiol
  • 17alpha-Ethinylestradiol-17beta
  • 17alpha-Ethinylestradiol
  • 17alpha-Ethinyl-3,17-dihydroxy-delta(sup1,3,5)-estratriene
  • 17-alpha-Ethynylestradiol-17-beta
  • 17-alpha-Ethynylestradiol
  • 17-alpha-Ethynyl-17-beta-oestradiol
  • 17-alpha-Ethynyl-1,3,5-oestratriene-3,17-beta-diol
  • 17-alpha-Ethynyl-1,3,5(10)-oestratriene-3,17-beta-diol

  • 17-alpha-Ethynyl-1,3,5(10)-estratriene-3,17-beta-diol
  • 17-alpha-Ethinyloestra-1,3,5(10)-triene-3,17-beta-diol
  • 17-alpha-Ethinylestra-1,3,5(10)-triene-3,17-beta-diol
  • 17-alpha-Ethinyl-delta(sup 1,3,5(10))oestratriene-3,17-beta-diol
  • 17-alpha-Ethinyl-3,17-dihydroxy-delta(sup 1,3,5)-estratriene
  • 17-alpha-Ethinyl-17-beta-estradiol
  • 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene
  • (17-alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17,diol
  • (17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol
  • component of Zorane

  • component of Ovral
  • component of Ortrel
  • component of Oracon
  • component of Norlestrin
  • component of Estopherol
  • component of Demulen
  • Ylestrol
  • Spanestrin
  • Progynon C
  • Primogyn M

  • Primogyn C
  • Primogyn
  • Perovex
  • Palonyl
  • Orestrayln
  • Orestralyn
  • Oradiol
  • Novestrol
  • Nogest-S
  • Neo-Estrone

  • Menolyn
  • Lynoral
  • Linoral
  • Inestra
  • Ginestrene
  • Follicoral
  • Feminone
  • Etistradiol
  • Etinoestryl
  • Etinestryl

  • Etinestrol
  • Eticylol
  • Eticyclol
  • Eticyclin
  • Ethynylestradiol
  • Ethinyloestradiol
  • Ethinylestriol
  • Ethinoral
  • Ethidol
  • Estradiol, 17-ethynyl-

  • Estra-1,3,5[10]-triene-3,17.beta.-diol, 17-ethynyl-
  • Estra-1,3,5(10)-triene-3,17.beta.-diol, 17.alpha.-ethynyl-
  • Estra-1,3,5(10)-triene-3,17.beta.-diol, 17-ethynyl-
  • Estorals
  • Estoral [Orion]
  • Estoral (Orion)
  • Estoral
  • Eston-E
  • Estinyl
  • Estigyn

  • Esteed
  • Ertonyl
  • EE
  • Dyloform
  • Diogyn-E
  • Diogyn E
  • Diognat-E
  • Chee-O-Genf
  • Chee-O-Gen
  • Amenoron

  • 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-oestratriene
  • 3,17.beta.-Dihydroxy-17.alpha.-ethynyl-1,3,5(10)-estratriene
  • 19-nor-17.alpha.-Pregna-1,3,5(10)-trien-2-yne-3,17-diol
  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-
  • 19-Nor-17.alpha.-pregna-1,3,5[10]-trien-20-yne-3,17-diol
  • 19-Nor-17.alpha.-pregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 17.beta.-Estradiol, 17-ethynyl-
  • 17.alpha.-ethinyloestra-1,3,5(10)-triene-3,17.beta.-diol
  • 17.alpha.-ethinylestra-1,3,5(10)-triene-3,17.beta.-diol
  • 17.alpha.-ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)oestratriene

  • 17.alpha.-ethinyl-.delta.(sup1,3,5(10))oestratriene-3,17-.beta.-diol
  • 17.alpha.-Ethynyloestradiol-17.beta.
  • 17.alpha.-Ethynyloestradiol
  • 17.alpha.-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol
  • 17.alpha.-Ethynylestradiol-l7.beta.
  • 17.alpha.-Ethynylestradiol
  • 17.alpha.-Ethynylestra-1,3,5(10)-triene-3,17.beta.-diol
  • 17.alpha.-Ethynyl-17.beta.-oestradiol
  • 17.alpha.-Ethynyl-1,3,5-oestratriene-3,17.beta.-diol
  • 17.alpha.-Ethynyl-1,3,5-estratriene-3,17.beta.-diol

  • 17.alpha.-Ethinylestradiol
  • 17.alpha.-Ethinyl-3,17-dihydroxy-.delta.(sup1,3,5)-estratriene
  • 17.alpha.-Ethinyl-17.beta.-estradiol
  • 17-Ethynyloestradiol
  • 17-Ethynyloestra-1,3,5(10)-triene-3,17.beta.-diol
  • 17-Ethynylestradiol
  • 17-Ethynyl-3-17-dihydroxy-1,3,5-oestratriene
  • 17-Ethinylestradiol
  • 17-Ethinyl-3,17-oestradiol
  • 17-Ethinyl-3,17-estradiol

  • Ethinylestradiol (JP15/INN)
  • Ethinyl estradiol (USP)
  • Estinyl (TN)
  • D00554
  • 17alpha-ethynylestradiol
  • 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol
  • SGCUT00127
  • 19-Nor-1,3,5(10),17alpha-pregnatrien-20-yne-3,17-diol
  • 17a-Ethynylestradiol
  • 17alpha-Ethynyl-1,3,5(10)-estratriene-3,17beta-diol

  • LMST02010036
  • 17alpha-ethinyl-estra-1,3,5(10)-triene-3,17beta-diol
  • Ethynyl estradiol
  • Ethinylestradiol
  • Ethinyl estradiol
  • 17alpha-Ethinyl estradiol
  • Ortho-Cyclen
  • Norethin 1/35 E
  • Microfollin
  • Levlen

  • Halodrin
  • Etinilestradiolo [DCIT]
  • Etinilestradiol [INN-Spanish]
  • Ethynyloestradiol
  • Ethinyloestradiol [Steroidal oestrogens]
  • Ethinylestradiolum [INN-Latin]
  • Ethinyl-oestranol
  • Ethinyl E2
  • Estra-1,3,5(10)-triene-3,17beta-diol, 17alpha-ethynyl-
  • Estra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-ethynyl-

  • EE(sub 2)
  • Diprol
  • Aethinyoestradiol [German]
  • Aethinyloestradiolum
  • 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-oestratriene
  • 3,17beta-Dihydroxy-17alpha-ethynyl-1,3,5(10)-estratriene
  • 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-oestratriene
  • 3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene
  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-
  • 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol

  • 19-Nor-17-alpha-pregna-1,3,5(10)-triene-20-yne-3,17-diol
  • 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 17alpha-ethinyloestra-1,3,5(10)-triene-3,17beta-diol
  • 17alpha-ethinylestra-1,3,5(10)-triene-3,17beta-diol
  • 17alpha-ethinyl-delta(sup1,3,5(10))oestratriene-3,17-beta -diol
  • 17alpha-ethinyl-3,17-dihydroxy-delta(sup1,3,5)oestratriene
  • 57-63-6
  • 77538-56-8
  • Estoral (VAN)
  • Estopherol

  • EO
  • EE2

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Ethinyl estradiol Identification Summary Frequently Asked Questions (FAQs)

What’s the ethinyl estradiol formula?
C20H24O2
How many atoms and what elements are included in the ethinyl estradiol molecule?
46 atom(s) - 24 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the ethinyl estradiol structure?
49 bond(s) - 25 non-H bond(s), 7 multiple bond(s), 1 triple bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 hydroxyl group(s), 1 aromatic hydroxyl(s), and 1 tertiary alcohol(s)
What’s the ethinyl estradiol’s molar mass?
296.40336 g/mol
What’s the SMILES structure of ethinyl estradiol?
CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C
What’s the InChI code of ethinyl estradiol?
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
What’s the InChIKey format of ethinyl estradiol?
BFPYWIDHMRZLRN-SLHNCBLASA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).