Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Deoxynivalenol
RN: 51481-10-8
UNII: JT37HYP23V
InChIKey: LINOMUASTDIRTM-QGRHZQQGSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C15-H20-O6

Molecular Weight

  • 296.317
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Deoxynivalenol
  • Vomitoxin

Synonyms

  • 12,13-Epoxy-3-alpha,7-alpha,15-trihydroxy-9-trichothecen-8-one
  • 4-Deoxynivalenol
  • 4-Desoxynivalenol
  • CCRIS 7801
  • Dehydronivalenol
  • Deoxynivalenol
  • Desoxynivalenol
  • DON
  • HSDB 7245
  • NSC 269144
  • Rd toxin
  • UNII-JT37HYP23V
  • Vomitoxin

Systematic Names

  • 3alpha,7alpha,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one
  • Deoxynivalenol
  • Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,7-alpha)-

Superlist Name

  • Deoxynivalenol

Registry Numbers

CAS Registry Number

  • 51481-10-8

FDA UNII

  • JT37HYP23V

Other Registry Numbers

  • 115825-61-1
  • 50722-37-7

System Generated Number

  • 0051481108

Structure Descriptors

InChI

InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1

InChIKey

LINOMUASTDIRTM-QGRHZQQGSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 140mg/kg (140mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Poultry Science. Vol. 60, Pg. 1412, 1981.
dog LD50 subcutaneous 27mg/kg (27mg/kg)   Veterinary and Human Toxicology. Vol. 25, Pg. 335, 1983.
mouse LD50 intraperitoneal 43mg/kg (43mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
mouse LD50 oral 46mg/kg (46mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Fundamental and Applied Toxicology. Vol. 4, Pg. S124, 1984.
mouse LD50 subcutaneous 45mg/kg (45mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 152 deg C   EXP
log P (octanol-water) -0.710 (none)   EST
Atmospheric OH Rate Constant 1.44E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.