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Substance Name: Acetylshikonin
RN: 24502-78-1
UNII: ST04094S3X
InChIKey: WNFXUXZJJKTDOZ-OAHLLOKOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-O6

Molecular Weight

  • 330.3342
 
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Names and Synonyms

Results Name

  • Acetylshikonin

Name of Substance

  • Acetylshikonin

Synonyms

  • (+)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone 2-acetate
  • Acetylshikonin
  • NSC 110199
  • Shikonin, acetyl
  • UNII-ST04094S3X

Systematic Names

  • 1,4-Naphthalenedione, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-, (R)- (9CI)
  • 1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, 2-acetate, (+)-

Registry Numbers

CAS Registry Number

  • 24502-78-1

FDA UNII

  • ST04094S3X

System Generated Number

  • 0024502781

Structure Descriptors

InChI

1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1

InChIKey

WNFXUXZJJKTDOZ-OAHLLOKOSA-N

Smiles

CC(=CC[C@@H](OC(=O)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 41mg/kg (41mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 73, Pg. 193, 1977.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 73, Pg. 193, 1977.