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Substance Name: Benzothiazolium, 6-ethoxy-2-(5-(6-ethoxy-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
RN: 17578-97-1
InChIKey: OQLBNFDEQJEWTI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N2-O2-S2.I

Molecular Weight

  • 578.532
 
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Names and Synonyms

Synonyms

  • 6,6'-Diethoxy-3,3'-dimethylpentanethinethiacyanine iodide
  • 6,6'-Diethoxy-3,3'-dimethylthiadicarbocyanine iodide

Systematic Name

  • Benzothiazolium, 6-ethoxy-2-(5-(6-ethoxy-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 17578-97-1

System Generated Number

  • 0017578971

Molecular Formulas

Molecular Formula

  • C25-H27-N2-O2-S2.I

Molecular Formula Fragments

  • C25-H27-N2-O2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C25H27N2O2S2.HI/c1-5-28-18-12-14-20-22(16-18)30-24(26(20)3)10-8-7-9-11-25-27(4)21-15-13-19(29-6-2)17-23(21)31-25;/h7-17H,5-6H2,1-4H3;1H/q+1;/p-1

InChIKey

OQLBNFDEQJEWTI-UHFFFAOYSA-M

Smiles

c12c(SC(\N1C)=C\C=C\C=C\c1[n+](c3ccc(cc3s1)OCC)C)cc(OCC)cc2.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 897, 1967.