2-Methoxy-17α-ethynylestradiol

CAS Registry Number®

22415-44-7
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CAS Name

2-Methoxy-17α-ethynylestradiol

Molecular Formula

C21H26O3

Molecular Mass

326.43

Cite this Page

2-Methoxy-17α-ethynylestradiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22415-44-7 (retrieved 2024-04-29) (CAS RN: 22415-44-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H26O3/c1-4-21(23)10-8-17-15-6-5-13-11-18(22)19(24-3)12-16(13)14(15)7-9-20(17,21)2/h1,11-12,14-15,17,22-23H,5-10H2,2-3H3/t14-,15+,17-,20-,21-/m0/s1

InChIKey

InChIKey=NRGDXTWZJCEVEB-PVHGPHFFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=C(OC)C4)(CC1)[H])[H])(CC[C@]2(C#C)O)[H]

Canonical SMILES

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

Other Names for this Substance

  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 2-methoxy-, (17α)-
  • 19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol, 2-methoxy-
  • (17α)-2-Methoxy-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol
  • 2-Methoxy-17α-ethynylestradiol
  • 17α-Ethynyl-2-methoxyestradiol

Deleted or Replaced CAS Registry Numbers

26011-46-1

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