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Substance Name: Hexanamide, 2-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-, picrate
RN: 94440-40-1
InChIKey: KZEHVFUOOTZBAJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H23-N3-O2.C6-H3-N3-O7

Molecular Weight

  • 482.447
 
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Names and Synonyms

Synonym

  • 2-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)hexanamide picrate

Systematic Name

  • Hexanamide, 2-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-, picrate

Registry Numbers

CAS Registry Number

  • 94440-40-1

System Generated Number

  • 0094440401

Molecular Formulas

Molecular Formula

  • C13-H23-N3-O2.C6-H3-N3-O7

Molecular Formula Fragments

  • C13-H23-N3-O2
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C13H23N3O2.C6H3N3O7/c1-6-7-8-11(16(4)5)12(17)14-13-9(2)10(3)15-18-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11H,6-8H2,1-5H3,(H,14,17);1-2,10H

InChIKey

KZEHVFUOOTZBAJ-UHFFFAOYSA-N

Smiles

c1(NC([C@@H](CCCC)[NH+](C)C)=O)c(c(no1)C)C.c1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 82, Pg. 474, 1962.