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Substance Name: Rhein
RN: 478-43-3
UNII: YM64C2P6UX
InChIKey: FCDLCPWAQCPTKC-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Enzyme Inhibitors

Molecular Formula

  • C15-H8-O6

Molecular Weight

  • 284.222
 
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Names and Synonyms

Name of Substance

  • Rhein

Synonyms

  • 1,8-Dihydroxyanthraquinone-3-carboxylic acid
  • 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-
  • 4-10-00-04088 (Beilstein Handbook Reference)
  • 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid
  • BRN 2222155
  • Cassic acid
  • CCRIS 5129
  • Chrysazin-3-carboxylic acid
  • EINECS 207-521-4
  • Monorhein
  • NSC 38629
  • Rheic acid
  • Rhein
  • Rhubarb Yellow
  • UNII-YM64C2P6UX

Systematic Names

  • 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-
  • 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo- (8CI)
  • 9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
  • Rhein

Registry Numbers

CAS Registry Number

  • 478-43-3

FDA UNII

  • YM64C2P6UX

System Generated Number

  • 0000478433

Structure Descriptors

InChI

1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)

InChIKey

FCDLCPWAQCPTKC-UHFFFAOYSA-N

Smiles

c12c(C(c3cccc(c3C1=O)O)=O)cc(C(O)=O)cc2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 25mg/kg (25mg/kg)   Pharmacology and Toxicology Vol. 61, Pg. 153, 1987.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Pharmacology and Toxicology Vol. 61, Pg. 153, 1987.