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Substance Name: 6-Benzothiazolamine, 2-(ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-
RN: 82746-89-2
InChIKey: LIIMDKKKDSWCAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N7-O2-S2

Molecular Weight

  • 413.484
 
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Names and Synonyms

Synonym

  • 2-(Ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-6-benzothiazolamine

Systematic Name

  • 6-Benzothiazolamine, 2-(ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 82746-89-2

System Generated Number

  • 0082746892

Structure Descriptors

InChI

1S/C17H15N7O2S2/c1-2-27-17-19-14-8-5-12(9-15(14)28-17)18-10-23-16(20-21-22-23)11-3-6-13(7-4-11)24(25)26/h3-9,18H,2,10H2,1H3

InChIKey

LIIMDKKKDSWCAF-UHFFFAOYSA-N

Smiles

c1(n(CNc2cc3c(nc(s3)SCC)cc2)nnn1)c1ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Cesko-Slovenska Farmacie. Vol. 33, Pg. 230, 1984.