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Substance Name: Quaternium-45
RN: 21034-17-3
InChIKey: MAQWKZSXWNXMPC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N2-O.I

Molecular Weight

  • 342.174
 
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Names and Synonyms

Name of Substance

  • Quaternium-45

Synonyms

  • EINECS 244-158-0
  • Kankohso 401
  • Kankohso 401 [Japanese]
  • NK 355

Systematic Names

  • 3,4-Dimethyl-2-(2-(phenylamino)vinyl)oxazolium iodide
  • Oxazolium, 2-(2-anilinovinyl)-3,4-dimethyl-, iodide
  • Oxazolium, 3,4-dimethyl-2-(2-(phenylamino)ethenyl)-, iodide (9CI)

Registry Numbers

CAS Registry Number

  • 21034-17-3

System Generated Number

  • 0021034173

Molecular Formulas

Molecular Formula

  • C13-H15-N2-O.I

Molecular Formula Fragments

  • C13-H15-N2-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H14N2O.HI/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12;/h3-10H,1-2H3;1H

InChIKey

MAQWKZSXWNXMPC-UHFFFAOYSA-N

Smiles

o1c([n+](c(c1)C)C)\C=C\Nc1ccccc1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3735mg/kg (3735mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Kanko Shikiso. Photosensitizing Dyes. Vol. (88), Pg. 10, 1981.