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Substance Name: 1,3-Dioxane, 5,5-dimethyl-2-(1H-imidazol-1-ylmethyl)-2-(2-naphthalenyl)-, monohydrochloride
RN: 70891-48-4
InChIKey: BYHIHRLEEPQCQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N2-O2.Cl-H

Molecular Weight

  • 358.8667
 
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Names and Synonyms

Synonyms

  • 1H-Imidazole, 1-((5,5-dimethyl-2-(2-naphthalenyl)-1,3-dioxan-2-yl)methyl)-, hydrochloride
  • 5,5-Dimethyl-2-(1H-imidazol-1-ylmethyl)-2-(2-naphthalenyl)-1,3-dioxane monohydrochloride

Systematic Name

  • 1,3-Dioxane, 5,5-dimethyl-2-(1H-imidazol-1-ylmethyl)-2-(2-naphthalenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 70891-48-4

System Generated Number

  • 0070891484

Molecular Formulas

Molecular Formula

  • C20-H22-N2-O2.Cl-H

Molecular Formula Fragments

  • C20-H22-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22N2O2.ClH/c1-19(2)13-23-20(24-14-19,12-22-10-9-21-15-22)18-8-7-16-5-3-4-6-17(16)11-18;/h3-11,15H,12-14H2,1-2H3;1H

InChIKey

BYHIHRLEEPQCQH-UHFFFAOYSA-N

Smiles

CC1(COC(OC1)(Cn2ccnc2)c3ccc4ccccc4c3)C.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.