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Substance Name: Linamarin
RN: 554-35-8
UNII: H3V9RP3WLO
InChIKey: QLTCHMYAEJEXBT-ZEBDFXRSSA-N

Note

  • From the seed skins or embryos of flax; a cyanogenic glycoside.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C10-H17-N-O6

Molecular Weight

  • 247.245
 
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Names and Synonyms

Name of Substance

  • Linamarin

Synonyms

  • 2-(beta-D-Glucopyranosyloxy)-2-methylpropanenitrile
  • 2-(beta-D-Glucopyranosyloxy)isobutyronitrile
  • 5-17-07-00397 (Beilstein Handbook Reference)
  • alpha-Hydroxyisobutyronitrile-beta-D-glucose
  • BRN 0019237
  • HSDB 3507
  • Linamarin
  • Phaseolunatin
  • Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-
  • UNII-H3V9RP3WLO

Systematic Name

  • Propanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl-

Registry Numbers

CAS Registry Number

  • 554-35-8

FDA UNII

  • H3V9RP3WLO

System Generated Number

  • 0000554358

Structure Descriptors

InChI

1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1

InChIKey

QLTCHMYAEJEXBT-ZEBDFXRSSA-N

Smiles

O1[C@H]([C@@H]([C@@H](O)[C@@H]([C@H]1CO)O)O)OC(C#N)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 500mg/kg (500mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Toxicology and Applied Pharmacology. Vol. 42, Pg. 539, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 145 deg C   EXP
log P (octanol-water) -1.910 (none)   EST
Atmospheric OH Rate Constant 6.30E-11 cm3/molecule-sec 25 EST

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