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Substance Name: E445
RN: 66170-21-6
InChIKey: RZBXEKFTYNJEJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H33-N-O2.Cl-H

Molecular Weight

  • 452.0346
 
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Names and Synonyms

Results Name

  • E445

Synonyms

  • 2-((Bis(phenylmethyl)amino)methyl)-1-(3-methoxyphenyl)cyclohexanol hydrochloride
  • E 445

Systematic Name

  • Cyclohexanol, 2-((bis(phenylmethyl)amino)methyl)-1-(3-methoxyphenyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 66170-21-6

System Generated Number

  • 0066170216

Molecular Formulas

Molecular Formula

  • C28-H33-N-O2.Cl-H

Molecular Formula Fragments

  • C28-H33-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H33NO2.ClH/c1-31-27-17-10-16-25(19-27)28(30)18-9-8-15-26(28)22-29(20-23-11-4-2-5-12-23)21-24-13-6-3-7-14-24;/h2-7,10-14,16-17,19,26,30H,8-9,15,18,20-22H2,1H3;1H

InChIKey

RZBXEKFTYNJEJI-UHFFFAOYSA-N

Smiles

COc1cccc(c1)C2(CCCCC2CN(Cc3ccccc3)Cc4ccccc4)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 107, 1978.