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Substance Name: 3,3'-Diethylheptamethinethiacyanine iodide
RN: 3071-70-3
InChIKey: OYVFJKVYVDYPFV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-N2-S2.I

Molecular Weight

  • 544.518
 
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Names and Synonyms

Results Name

  • 3,3'-Diethylheptamethinethiacyanine iodide

Synonyms

  • 3,3'-Diethylheptamethinethiacyanine iodide
  • 3-Ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl)benzothiazolium iodide
  • EINECS 221-342-9

Systematic Names

  • 3-Ethyl-2-(7-(3-ethyl-3H-benzothiazol-2-ylidene)hepta-1,3,5-trienyl)benzothiazolium iodide
  • Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrien-1-yl)-, iodide (1:1)
  • Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, iodide
  • Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl)-, iodide

Registry Numbers

CAS Registry Number

  • 3071-70-3

Other Registry Numbers

  • 51895-79-5
  • 89013-15-0

System Generated Number

  • 0003071703

Molecular Formulas

Molecular Formula

  • C25-H25-N2-S2.I

Molecular Formula Fragments

  • C25-H25-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

OYVFJKVYVDYPFV-UHFFFAOYSA-M

Smiles

c12N(\C(=C\C=C\C=C\C=C\c3[n+](c4ccccc4s3)CC)Sc1cccc2)CC.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100ug/kg (0.1mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 897, 1967.