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Substance Name: Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-, 3-oxide
RN: 40019-78-1
InChIKey: DHYBHJCBLMOZSN-SOFGYWHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N2-O4-S

Molecular Weight

  • 292.3138
 
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Names and Synonyms

Synonyms

  • 4,5,6,7-Tetrahydro-2-(2-(5-nitrofuryl)vinyl)benzothiazole 3-oxide
  • Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitro-2-furanyl)ethenyl)-, 3-oxide

Systematic Name

  • Benzothiazole, 4,5,6,7-tetrahydro-2-(2-(5-nitrofuryl)vinyl)-, 3-oxide

Registry Numbers

CAS Registry Number

  • 40019-78-1

System Generated Number

  • 0040019781

Structure Descriptors

InChI

1S/C13H12N2O4S/c16-14-10-3-1-2-4-11(10)20-13(14)8-6-9-5-7-12(19-9)15(17)18/h5-8H,1-4H2/b8-6+

InChIKey

DHYBHJCBLMOZSN-SOFGYWHQSA-N

Smiles

c1cc(oc1/C=C/c2[n+](c3c(s2)CCCC3)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2920247,