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Substance Name: 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-1-(1-oxopropoxy)-3-pentenyl)-
RN: 84272-99-1
InChIKey: DLBQFLWCDFTEQG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-O6

Molecular Weight

  • 344.361
 
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Names and Synonyms

Synonyms

  • 5,8-Dihydroxy-2-(4-methyl-1-(1-oxopropoxy)-3-pentenyl)-1-,4-naphthalenedione
  • BRN 5605391
  • Shikonin propionate

Systematic Name

  • 1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-1-(1-oxopropoxy)-3-pentenyl)-

Registry Numbers

CAS Registry Number

  • 84272-99-1

System Generated Number

  • 0084272991

Structure Descriptors

InChI

1S/C19H20O6/c1-4-16(23)25-15(8-5-10(2)3)11-9-14(22)17-12(20)6-7-13(21)18(17)19(11)24/h5-7,9,15,20-21H,4,8H2,1-3H3

InChIKey

DLBQFLWCDFTEQG-UHFFFAOYSA-N

Smiles

CCC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(ccc(c2C1=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 9750ug/kg (9.75mg/kg)   Pakistan Journal of Pharmacology. Vol. 3(1-2), Pg. 43, 1986.