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Substance Name: Validoxylamine A
RN: 38665-10-0
InChIKey: YCJYNBLLJHFIIW-MBABXGOBSA-N

Note

  • Fungicide against sheath blight of rice plants.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H25-N-O8

Molecular Weight

  • 335.3505
 
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Names and Synonyms

Name of Substance

  • Validoxylamine A

Synonym

  • (+)-Validoxylamine A

Systematic Names

  • D-chiro-Inositol, 1,5,6-trideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1alpha,4alpha,5beta,6alpha))-
  • D-chiro-Inositol, 5-(hydroxymethyl)-1,5,6-trideoxy-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-

Registry Numbers

CAS Registry Number

  • 38665-10-0

System Generated Number

  • 0038665100

Structure Descriptors

InChI

1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1

InChIKey

YCJYNBLLJHFIIW-MBABXGOBSA-N

Smiles

C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4089947,