(16α)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one

CAS Registry Number®

4091-75-2

CAS Name

(16α)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one

Molecular Formula

C19H23ClO2

Molecular Mass

318.84

Cite this Page

(16α)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4091-75-2 (retrieved 2024-11-22) (CAS RN: 4091-75-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H23ClO2/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-17H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,19+/m1/s1

InChIKey

InChIKey=UQIPVSBPFZSWGD-ILYVXUQDSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC)=CC4)(CC1)[H])[H])(C[C@@H](Cl)C2=O)[H]

Canonical SMILES

O=C1C(Cl)CC2C3CCC4=CC(OC)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 16-chloro-3-methoxy-, (16α)-
  • Estra-1,3,5(10)-trien-17-one, 16α-chloro-3-methoxy-
  • (16α)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one
  • Atheran
  • 16α-Chloroestrone 3-methyl ether

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CAS INSIGHTSTM
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