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Substance Name: 3,3'-Diethylthiacarbocyanine iodide
RN: 905-97-5
InChIKey: VZBILKJHDPEENF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N2-S2.I

Molecular Weight

  • 492.443
 
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Names and Synonyms

Name of Substance

  • 3,3'-Diethylthiacarbocyanine iodide

Synonyms

  • 3,3'-Diethyltrimethinethiacyanine iodide
  • 3-Ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-1-propenyl)benzothiazolium iodide
  • NSC 93472

Systematic Names

  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)-, iodide (9CI)
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-1-propenyl)-, iodide

Registry Numbers

CAS Registry Number

  • 905-97-5

System Generated Number

  • 0000905975

Molecular Formulas

Molecular Formula

  • C21-H21-N2-S2.I

Molecular Formula Fragments

  • C21-H21-N2-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

VZBILKJHDPEENF-UHFFFAOYSA-M

Smiles

c12N(\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 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 897, 1967.