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Substance Name: 1,4-Naphthalenedione, 5-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-
RN: 111364-60-4
InChIKey: NDLVJKROXRAOQG-REXJZNOJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H24-O13.1/2H2-O

Molecular Weight

  • 520.4406
 
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Names and Synonyms

Synonyms

  • 2-(Tetra-O-acetyl-beta-D-glucopyranosyloxy)-5-hydroxy-1,4-naphthoquinone hemihydrate
  • 5-Hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-1,4-naphthalenedione

Systematic Name

  • 1,4-Naphthalenedione, 5-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-

Registry Numbers

CAS Registry Number

  • 111364-60-4

System Generated Number

  • 0111364604

Molecular Formulas

Molecular Formula

  • C24-H24-O13.1/2H2-O

Molecular Formula Fragments

  • C24-H24-O13
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H24O13/c1-10(25)32-9-18-21(33-11(2)26)22(34-12(3)27)23(35-13(4)28)24(37-18)36-17-8-16(30)19-14(20(17)31)6-5-7-15(19)29/h5-8,18,21-24,29H,9H2,1-4H3/t18-,21-,22+,23-,24-/m1/s1

InChIKey

NDLVJKROXRAOQG-REXJZNOJSA-N

Smiles

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=O)c3c(cccc3O)C2=O)OC(=O)C)OC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23200ug/kg (23.2mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 500, 1992.