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Substance Name: Mandelonitrile glucoside
RN: 138-53-4
UNII: 4J1L0618WK
InChIKey: ZKSZEJFBGODIJW-MXNNCRBYSA-N

Note

  • Cyanogenic glycoside.

Classification Code

  • Enzyme Inhibitors

Molecular Formula

  • C14-H17-N-O6

Molecular Weight

  • 295.2893
 
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Names and Synonyms

Name of Substance

  • Mandelonitrile glucoside
  • Prulaurasin

Synonyms

  • alpha-(beta-D-Glucopyranosyloxy)benzeneacetonitrile
  • alpha-Cyanobenzyl beta-D-glucopyranoside
  • D,L-Mandelonitrile-beta-D-glucoside
  • Mandelonitrile beta-D-glucopyranoside
  • Mandelonitrile glucoside
  • UNII-4J1L0618WK

Systematic Names

  • Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)- (9CI)
  • Prulaurasin

Registry Numbers

CAS Registry Number

  • 138-53-4

FDA UNII

  • 4J1L0618WK

System Generated Number

  • 0000138534

Structure Descriptors

InChI

1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1

InChIKey

ZKSZEJFBGODIJW-MXNNCRBYSA-N

Smiles

OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 560mg/kg (560mg/kg)   Journal of Toxicological Sciences. Vol. 12, Pg. 47, 1987.