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Substance Name: Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide
RN: 146794-72-1
InChIKey: RRIOAUBKXIZGDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N3-O-S.I

Molecular Weight

  • 417.309
 
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Names and Synonyms

Synonyms

  • 1-Allyl-1-methyl-4-(6-hydroxybenzothioazol-2-yl)piperazinium iodide
  • 4-(6-Hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)piperazinium iodide

Systematic Name

  • Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide

Registry Numbers

CAS Registry Number

  • 146794-72-1

System Generated Number

  • 0146794721

Molecular Formulas

Molecular Formula

  • C15-H20-N3-O-S.I

Molecular Formula Fragments

  • C15-H20-N3-O-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C15H19N3OS.HI/c1-3-8-18(2)9-6-17(7-10-18)15-16-13-5-4-12(19)11-14(13)20-15;/h3-5,11H,1,6-10H2,2H3;1H

InChIKey

RRIOAUBKXIZGDC-UHFFFAOYSA-N

Smiles

C[N+]1(CCN(CC1)c2nc3ccc(cc3s2)O)CC=C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-316565,