Diacerein

CAS Registry Number®

13739-02-1

CAS Name

Diacerein

Molecular Formula

C19H12O8

Molecular Mass

368.29

Cite this Page

Diacerein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13739-02-1 (retrieved 2024-11-21) (CAS RN: 13739-02-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)

InChIKey

InChIKey=TYNLGDBUJLVSMA-UHFFFAOYSA-N

SMILES

O(C(C)=O)C1=C2C(C(=O)C=3C(C2=O)=C(OC(C)=O)C=CC3)=CC(C(O)=O)=C1

Canonical SMILES

O=C(O)C1=CC(OC(=O)C)=C2C(=O)C=3C(OC(=O)C)=CC=CC3C(=O)C2=C1

Other Names for this Substance

  • 2-Anthracenecarboxylic acid, 4,5-bis(acetyloxy)-9,10-dihydro-9,10-dioxo-
  • 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, diacetate
  • Rhein, diacetate
  • 4,5-Bis(acetyloxy)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid
  • 1,8-Diacetoxy-3-carboxyanthraquinone

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration