(16α)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-one
CAS Registry Number®
4091-75-2
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CAS Name
(16α)-16-Chloro-3-methoxyestra-1,3,5(10)-trien-17-oneMolecular Formula
C19H23ClO2Molecular Mass
318.84Cite 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/ChemicalDetail.aspx?ref=4091-75-2 (retrieved ) (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
