Clometherone

CAS Registry Number®

5591-27-5
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CAS Name

Clometherone

Molecular Formula

C22H31ClO2

Molecular Mass

362.93

Cite this Page

Clometherone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5591-27-5 (retrieved 2024-04-25) (CAS RN: 5591-27-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H31ClO2/c1-12-9-17-15-11-19(23)18-10-14(25)5-7-21(18,3)16(15)6-8-22(17,4)20(12)13(2)24/h10,12,15-17,19-20H,5-9,11H2,1-4H3/t12-,15-,16+,17+,19+,20-,21-,22+/m1/s1

InChIKey

InChIKey=UMRURYMAPMZKQO-NDKKBYRMSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C([C@@H](Cl)C3)=CC(=O)CC4)[H])[H])(C[C@@H](C)[C@@H]2C(C)=O)[H]

Canonical SMILES

O=C1C=C2C(Cl)CC3C(CCC4(C)C(C(=O)C)C(C)CC34)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 6-chloro-16-methyl-, (6α,16α)-
  • Pregn-4-ene-3,20-dione, 6α-chloro-16α-methyl-
  • (6α,16α)-6-Chloro-16-methylpregn-4-ene-3,20-dione
  • 6α-Chloro-16α-methylpregn-4-ene-3,20-dione
  • Clometherone

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