Mestranol

CAS Registry Number®

72-33-3
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CAS Name

Mestranol

Molecular Formula

C21H26O2

Molecular Mass

310.43

Cite this Page

Mestranol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=72-33-3 (retrieved 2024-04-19) (CAS RN: 72-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150-151 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

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+/m1/s1

InChIKey

InChIKey=IMSSROKUHAOUJS-MJCUULBUSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC)=CC4)(CC1)[H])[H])(CC[C@]2(C#C)O)[H]

Canonical SMILES

C#CC1(O)CCC2C3CCC4=CC(OC)=CC=C4C3CCC21C

Other Names for this Substance

  • 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17α)-
  • 19-Nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-
  • (17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
  • 33355
  • Ethynylestradiol 3-methyl ether

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Deleted or Replaced CAS Registry Numbers

43085-54-7, 53445-46-8

CAS INSIGHTSTM
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