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Substance Name: Benzothiazolium, 3-methyl-2-(3-methyl-2-benzothiazolinylidene)methyl-, iodide
RN: 2783-72-4
InChIKey: UDQIDVMRMHXSSK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N2-S2.I

Molecular Weight

  • 438.352
 
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Names and Synonyms

Synonyms

  • 3,3'-Dimethylmonomethinethiacyanine iodide
  • 3-Methyl-2-(3-methyl-2-benzothiazolinylidene)methylbenzothiazolium iodide

Systematic Name

  • Benzothiazolium, 3-methyl-2-(3-methyl-2-benzothiazolinylidene)methyl-, iodide

Registry Numbers

CAS Registry Number

  • 2783-72-4

System Generated Number

  • 0002783724

Molecular Formulas

Molecular Formula

  • C17-H15-N2-S2.I

Molecular Formula Fragments

  • C17-H15-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H15N2S2.HI/c1-18-12-7-3-5-9-14(12)20-16(18)11-17-19(2)13-8-4-6-10-15(13)21-17;/h3-11H,1-2H3;1H/q+1;/p-1

InChIKey

UDQIDVMRMHXSSK-UHFFFAOYSA-M

Smiles

c12c(SC(\N1C)=C\c1sc3ccccc3[n+]1C)cccc2.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 897, 1967.