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Substance Name: Anisatin
RN: 5230-87-5
UNII: W9K8802FZL
InChIKey: GEVWHIDSUOMVRI-QWNPAUMXSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C15-H20-O8

Molecular Weight

  • 328.315
 
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Names and Synonyms

Results Name

  • Anisatin

Name of Substance

  • Anisatin

Synonyms

  • (-)-Anisatin
  • Anisatin
  • Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-, (1R,3'S,4R,5R,6aR,7R,9R,9aS)-
  • UNII-W9K8802FZL

Systematic Names

  • Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, 4a-beta,5,6a,7,8,9-hexahydro-5,9a-dimethyl-1-alpha,5-beta,6a-beta,7-beta-tetrahydroxy-
  • Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-, (1R-(1alpha,4beta,5beta,6beta,6abeta,7beta,9alpha,9abeta))-

Registry Numbers

CAS Registry Number

  • 5230-87-5

FDA UNII

  • W9K8802FZL

Other Registry Numbers

  • 11011-16-8
  • 18437-03-1

System Generated Number

  • 0005230875

Structure Descriptors

InChI

1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1

InChIKey

GEVWHIDSUOMVRI-QWNPAUMXSA-N

Smiles

C1(OC[C@]21[C@@](C)(O)[C@@H]1C[C@@]3([C@@H](C[C@H]([C@@]23O)O)C)[C@H](C(=O)O1)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700ug/kg (0.7mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: REGIDITY
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 55, Pg. 524, 1959.
mouse LDLo oral 1mg/kg (1mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 44, Pg. 1908, 1996.