Tibolone

CAS Registry Number®

5630-53-5

CAS Name

Tibolone

Molecular Formula

C21H28O2

Molecular Mass

312.45

Cite this Page

Tibolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5630-53-5 (retrieved 2024-11-21) (CAS RN: 5630-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1

InChIKey

InChIKey=WZDGZWOAQTVYBX-XOINTXKNSA-N

SMILES

C[C@H]1[C@]2([C@]3([C@@](C)([C@@](C#C)(O)CC3)CC[C@@]2(C4=C(C1)CC(=O)CC4)[H])[H])[H]

Canonical SMILES

O=C1CC2=C(CC1)C3CCC4(C)C(CCC4(O)C#C)C3C(C)C2

Other Names for this Substance

  • 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7α,17α)-
  • 19-Nor-17α-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-7α-methyl-
  • (7α,17α)-17-Hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one
  • Tibolone
  • 7α-Methyl-17α-ethynyl-17β-hydroxy-5(10)-estren-3-one

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Deleted or Replaced CAS Registry Numbers

133677-19-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration