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Substance Name: 1,3-Dithiane, 2-(1H-imidazol-1-ylmethyl)-2-(2-naphthalenyl)-, monohydrochloride
RN: 70891-56-4
InChIKey: DFXVBNFXIVQXKP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-S2.Cl-H

Molecular Weight

  • 362.9471
 
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Names and Synonyms

Synonyms

  • 1H-Imidazole, 1-((2-(2-naphthalenyl)-1,3-dithian-2-yl)methyl)-, monohydrochloride
  • 2-(1H-Imidazol-1-ylmethyl)-2-(2-naphthalenyl)-1,3-dithiane monohydrochloride

Systematic Name

  • 1,3-Dithiane, 2-(1H-imidazol-1-ylmethyl)-2-(2-naphthalenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 70891-56-4

System Generated Number

  • 0070891564

Molecular Formulas

Molecular Formula

  • C18-H18-N2-S2.Cl-H

Molecular Formula Fragments

  • C18-H18-N2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18N2S2.ClH/c1-2-5-16-12-17(7-6-15(16)4-1)18(21-10-3-11-22-18)13-20-9-8-19-14-20;/h1-2,4-9,12,14H,3,10-11,13H2;1H

InChIKey

DFXVBNFXIVQXKP-UHFFFAOYSA-N

Smiles

c1ccc2cc(ccc2c1)C3(SCCCS3)Cn4ccnc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 67, 1981.