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Substance Name: 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate(1:2)
RN: 130997-46-5
InChIKey: YQHNBTPXVGFVAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-F3-N3-O-S2.2C2-H2-O4

Molecular Weight

  • 551.4734
 
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Names and Synonyms

Synonym

  • 2-Imino-3-(2-(4-pyridylthio)ethyl)-6-trifluoromethoxybenzothiazoline dioxalate

Systematic Name

  • 2(3H)-Benzothiazolimine, 3-(2-(4-pyridinylthio)ethyl)-6-(trifluoromethoxy)-, ethanedioate(1:2)

Registry Numbers

CAS Registry Number

  • 130997-46-5

System Generated Number

  • 0130997465

Molecular Formulas

Molecular Formula

  • C15-H12-F3-N3-O-S2.2C2-H2-O4

Molecular Formula Fragments

  • C15-H12-F3-N3-O-S2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H12F3N3OS2.2C2H2O4/c16-15(17,18)22-10-1-2-12-13(9-10)24-14(19)21(12)7-8-23-11-3-5-20-6-4-11;2*3-1(4)2(5)6/h1-6,9,19H,7-8H2;2*(H,3,4)(H,5,6)

InChIKey

YQHNBTPXVGFVAA-UHFFFAOYSA-N

Smiles

c1cc2c(cc1OC(F)(F)F)sc(=N)n2CCSc3ccncc3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 15mg/kg (15mg/kg)   United States Patent Document. Vol. #4980356,