Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Rhein-8-glucoside calcium salt
RN: 113443-70-2
InChIKey: XXVBCAMVOFYHJP-WJGQHNSASA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-O11.Ca

Molecular Weight

  • 484.4244
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Rhein-8-glucoside calcium salt

Synonyms

  • 5-beta-D-Glucopyranosyloxy-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthroic acid calcium salt
  • 8-Glucosylrhein
  • Glucorein
  • Glucorhein
  • Rhein-8-glucoside calcium salt

Systematic Name

  • 2-Anthroic acid, 9,10-dihydro-9,10-dioxo-5-beta-D-glucopyranosyloxy-4-hydroxy-, calcium salt

Registry Numbers

CAS Registry Number

  • 113443-70-2

System Generated Number

  • 0113443702

Molecular Formulas

Molecular Formula

  • C21-H17-O11.Ca

Molecular Formula Fragments

  • C21-H17-O11
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C21H18O11.Ca/c22-5-11-16(26)18(28)19(29)20(32-11)7-1-2-9(23)14-13(7)15(25)8-3-6(21(30)31)4-10(24)12(8)17(14)27;/h1-4,11,16,18-20,22-24,26,28-29H,5H2,(H,30,31);/q;+2/p-2/t11-,16-,18+,19-,20+;/m1./s1

InChIKey

XXVBCAMVOFYHJP-WJGQHNSASA-L

Smiles

c1cc(c2c(c1[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)c4cc(cc(c4C2=O)[O-])C(=O)[O-])O.[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   Pharmacology and Toxicology Vol. 61, Pg. 153, 1987.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Pharmacology and Toxicology Vol. 61, Pg. 153, 1987.