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Substance Name: Acetic acid, (2-benzothiazolylthio)-, ((5-bromo-2-hydroxyphenyl)methylene)hydrazide, hydrate
RN: 94768-92-0
InChIKey: CWNNLTMMQAKAJZ-JUIXXEQESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-Br-N3-O2-S2.H2-O

Molecular Weight

  • 440.341
 
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Names and Synonyms

Synonym

  • (2-Benzothiazolylthio)acetic acid ((5-bromo-2-hydroxyphenyl)methylene)hydrazide hydrate

Systematic Name

  • Acetic acid, (2-benzothiazolylthio)-, ((5-bromo-2-hydroxyphenyl)methylene)hydrazide, hydrate

Registry Numbers

CAS Registry Number

  • 94768-92-0

System Generated Number

  • 0094768920

Molecular Formulas

Molecular Formula

  • C16-H12-Br-N3-O2-S2.H2-O

Molecular Formula Fragments

  • C16-H12-Br-N3-O2-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H12BrN3O2S2.H2O/c17-11-5-6-13(21)10(7-11)8-18-20-15(22)9-23-16-19-12-3-1-2-4-14(12)24-16;/h1-8,21H,9H2,(H,20,22);1H2/b18-8+;

InChIKey

CWNNLTMMQAKAJZ-JUIXXEQESA-N

Smiles

c12c(sc(n1)SCC(N\N=C\c1c(ccc(c1)Br)O)=O)cccc2.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1780mg/kg (1780mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 555, 1984.