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Substance Name: 3-Acetyldeoxynivalenol
RN: 50722-38-8
UNII: 838JJ2425Y
InChIKey: ADFIQZBYNGPCGY-HTJQZXIKSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C17-H22-O7

Molecular Weight

  • 338.3538
 
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Names and Synonyms

Name of Substance

  • 3-Acetyldeoxynivalenol

Synonyms

  • 3-Acetyl don
  • 3-Acetyldeoxynivalenol
  • Dehydronivalenol monoacetate
  • Deoxynivalenol monoacetate
  • NSC 267036
  • UNII-838JJ2425Y

Systematic Name

  • Trichothec-9-en-8-one, 3-(acetyloxy)-7,15-dihydroxy-, (3-alpha,7-alpha)-

Registry Numbers

CAS Registry Number

  • 50722-38-8

FDA UNII

  • 838JJ2425Y

Other Registry Number

  • 115825-62-2

System Generated Number

  • 0050722388

Structure Descriptors

InChI

1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1

InChIKey

ADFIQZBYNGPCGY-HTJQZXIKSA-N

Smiles

CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 47mg/kg (47mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 15, Pg. 261, 1974.
mouse LD50 oral 34mg/kg (34mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Fundamental and Applied Toxicology. Vol. 4, Pg. S124, 1984.
mouse LD50 subcutaneous 59mg/kg (59mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.