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Substance Name: Benzothiazolium, 6-methoxy-2-(5-(6-methoxy-3-methyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-methyl-, iodide
RN: 17578-95-9
InChIKey: AGJFSPHBPTZZBM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-N2-O2-S2.I

Molecular Weight

  • 550.479
 
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Names and Synonyms

Synonyms

  • 6,6'-Dimethoxy-3,3'-dimethylpentamethinethiacyanine iodide
  • 6,6'-Dimethoxy-3,3'-dimethylthiadicarbocyanine iodide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17578-95-9

System Generated Number

  • 0017578959

Molecular Formulas

Molecular Formula

  • C23-H23-N2-O2-S2.I

Molecular Formula Fragments

  • C23-H23-N2-O2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C23H23N2O2S2.HI/c1-24-18-12-10-16(26-3)14-20(18)28-22(24)8-6-5-7-9-23-25(2)19-13-11-17(27-4)15-21(19)29-23;/h5-15H,1-4H3;1H/q+1;/p-1

InChIKey

AGJFSPHBPTZZBM-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2mg/kg (2mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 897, 1967.