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Substance Name: Dhurrin
RN: 499-20-7
UNII: P5999IY65C
InChIKey: NVLTYOJHPBMILU-YOVYLDAJSA-N

Note

  • Cyanogenic glucoside from plant Sorghum; (R)-epimer is taxiphyllin.

Molecular Formula

  • C14-H17-N-O7

Molecular Weight

  • 311.288
 
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Names and Synonyms

Name of Substance

  • Dhurrin

Synonyms

  • EINECS 207-878-6
  • UNII-P5999IY65C

Systematic Names

  • (S)-(beta-D-Glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
  • (S)-p-Hydroxymandelnitrile-beta-D-glucopyranoside
  • Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-4-hydroxy-, (alphaS)-

Registry Numbers

CAS Registry Number

  • 499-20-7

FDA UNII

  • P5999IY65C

System Generated Number

  • 0000499207

Structure Descriptors

InChI

1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1

InChIKey

NVLTYOJHPBMILU-YOVYLDAJSA-N

Smiles

O1[C@@H](O[C@H](C#N)c2ccc(cc2)O)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 200 dec deg C   EXP

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