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Substance Name: Benzothiazolium, 3,6-dimethyl-2-(5-(3,6-dimethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-, iodide
RN: 14795-75-6
InChIKey: YRAPDILEIKZVDP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-N2-S2.I

Molecular Weight

  • 518.481
 
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Names and Synonyms

Synonyms

  • 3,3',6,6'-Tetramethylpentamethinethiacyanine iodide
  • 3,3',6,6'-Tetramethylthiadicarbocyanine iodide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14795-75-6

System Generated Number

  • 0014795756

Molecular Formulas

Molecular Formula

  • C23-H23-N2-S2.I

Molecular Formula Fragments

  • C23-H23-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C23H23N2S2.HI/c1-16-10-12-18-20(14-16)26-22(24(18)3)8-6-5-7-9-23-25(4)19-13-11-17(2)15-21(19)27-23;/h5-15H,1-4H3;1H/q+1;/p-1

InChIKey

YRAPDILEIKZVDP-UHFFFAOYSA-M

Smiles

c12c(N(C)C(\S1)=C/C=C/C=C/c1[n+](c3ccc(cc3s1)C)C)ccc(c2)C.[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.