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Substance Name: 3,3'-Diethyl-6,6'-dimethylthiadicarbocyanine iodide
RN: 10258-80-7
InChIKey: OHZXHINQSWUTCN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N2-S2.I

Molecular Weight

  • 546.534
 
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Names and Synonyms

Results Name

  • 3,3'-Diethyl-6,6'-dimethylthiadicarbocyanine iodide

Synonyms

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

Systematic Name

  • Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-7-methyl-2-benzothiazolinylidine)-1,3-pentadienyl)-7-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 10258-80-7

System Generated Number

  • 0010258807

Molecular Formulas

Molecular Formula

  • C25-H27-N2-S2.I

Molecular Formula Fragments

  • C25-H27-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C25H27N2S2.HI/c1-5-26-20-14-10-12-18(3)24(20)28-22(26)16-8-7-9-17-23-27(6-2)21-15-11-13-19(4)25(21)29-23;/h7-17H,5-6H2,1-4H3;1H/q+1;/p-1

InChIKey

OHZXHINQSWUTCN-UHFFFAOYSA-M

Smiles

c12c(SC(\N1CC)=C\C=C\C=C\c1[n+](c3cccc(c3s1)C)CC)c(ccc2)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1mg/kg (1mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 897, 1967.