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Substance Name: Propanenitrile, 3-(ethyl(3-methyl-4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)-
RN: 16588-67-3
InChIKey: IMWICXCTLULCFP-WCWDXBQESA-N

Molecular Formula

  • C20-H21-N5-O2-S2

Molecular Weight

  • 427.551
 
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Names and Synonyms

Synonyms

  • 3-(Ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)propanenitrile
  • EINECS 240-646-2

Systematic Names

  • 3-(Ethyl(3-methyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)phenyl)amino)propiononitrile
  • Propanenitrile, 3-(ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)-
  • Propanenitrile, 3-(ethyl(3-methyl-4-(2-(6-(methylsulfonyl)-2-benzothiazolyl)diazenyl)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 16588-67-3

System Generated Number

  • 0016588673

Structure Descriptors

InChI

1S/C20H21N5O2S2/c1-4-25(11-5-10-21)15-6-8-17(14(2)12-15)23-24-20-22-18-9-7-16(29(3,26)27)13-19(18)28-20/h6-9,12-13H,4-5,11H2,1-3H3/b24-23+

InChIKey

IMWICXCTLULCFP-WCWDXBQESA-N

Smiles

O=S(=O)(c1ccc2nc(\N=N\c3c(cc(N(CCC#N)CC)cc3)C)sc2c1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0534338,
mouse LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0534338,
rat LD50 intraperitoneal 1600mg/kg (1600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0534338,
rat LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0534338,