Dichlorisone acetate

CAS Registry Number®

79-61-8

CAS Name

Dichlorisone acetate

Molecular Formula

C23H28Cl2O5

Molecular Mass

455.37

Cite this Page

Dichlorisone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79-61-8 (retrieved 2024-11-25) (CAS RN: 79-61-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    246-253 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28Cl2O5/c1-13(26)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(27)6-8-20(14,2)23(17,25)18(24)11-21(16,22)3/h6,8,10,16-18,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1

InChIKey

InChIKey=YNNURTVKPVJVEI-GSLJADNHSA-N

SMILES

Cl[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1Cl)[C@](C(COC(C)=O)=O)(O)CC3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(Cl)C32Cl)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-dichloro-17-hydroxy-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 9,11β-dichloro-17,21-dihydroxy-, 21-acetate
  • (11β)-21-(Acetyloxy)-9,11-dichloro-17-hydroxypregna-1,4-diene-3,20-dione
  • Dichlorisone acetate
  • Δ1-9,11-Dichlorocortisone acetate

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