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Substance Name: 2-Azabicyclo(2.2.2)octane-2-propanol, beta-methyl-alpha,alpha-diphenyl-, hydrochloride
RN: 21206-72-4
InChIKey: ZRAQGWSMJBXNRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O.Cl-H

Molecular Weight

  • 371.949
 
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Names and Synonyms

Synonyms

  • 1,1-Diphenyl-2-methyl-3-(2-azabicyclo(2.2.2)oct-2-yl)propanol hydrochloride
  • alpha-(2-(2-Azabicyclo(2.2.2)oct-2-yl)-1-methylethyl)benzhydrol hydrochloride
  • Benzhydrol, alpha-(2-(2-azabicyclo(2.2.2)oct-2-yl)-1-methylethyl)-, hydrochloride

Systematic Name

  • 2-Azabicyclo(2.2.2)octane-2-propanol, beta-methyl-alpha,alpha-diphenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 21206-72-4

System Generated Number

  • 0021206724

Molecular Formulas

Molecular Formula

  • C23-H29-N-O.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO.ClH/c1-18(24-17-19-12-14-22(24)15-13-19)16-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21;/h2-11,18-19,22,25H,12-17H2,1H3;1H

InChIKey

ZRAQGWSMJBXNRL-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C[C@@H]([N@@H+]1C2CCC(C1)CC2)C)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.