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Substance Name: Benzothiazolium, 2-(p-(dimethylamino)phenyl)-4,5,6,7-tetrahydro-3-methyl-, iodide
RN: 19422-09-4
InChIKey: AYWNCIZIGBPNSK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N2-S.I

Molecular Weight

  • 400.322
 
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Names and Synonyms

Synonym

  • 2-(p-(Dimethylamino)phenyl)-4,5,6,7-tetrahydro-3-methyl-benzothiazolium iodide

Systematic Name

  • Benzothiazolium, 2-(p-(dimethylamino)phenyl)-4,5,6,7-tetrahydro-3-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 19422-09-4

System Generated Number

  • 0019422094

Molecular Formulas

Molecular Formula

  • C16-H21-N2-S.I

Molecular Formula Fragments

  • C16-H21-N2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H21N2S.HI/c1-17(2)13-10-8-12(9-11-13)16-18(3)14-6-4-5-7-15(14)19-16;/h8-11H,4-7H2,1-3H3;1H/q+1;/p-1

InChIKey

AYWNCIZIGBPNSK-UHFFFAOYSA-M

Smiles

c1(c2ccc(N(C)C)cc2)[n+](c2CCCCc2s1)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1205, 1968.
mouse LD50 oral 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1205, 1968.