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Substance Name: Benzeneacetic acid, alpha-phenyl-, 3-amino-1-azabicyclo(2.2.2)oct-3-yl ester, hydrochloride
RN: 63716-95-0
InChIKey: DTPYPFHINYYSCC-UHFFFAOYSA-N

Molecular Formula

  • C21-H24-N2-O2.Cl-H

Molecular Weight

  • 372.893
 
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Names and Synonyms

Synonyms

  • alpha-Phenylbenzeneacetic acid 3-amino-1-azabicyclo(2.2.2)oct-3-yl ester hydrochloride
  • Ro 2-3911

Systematic Name

  • Benzeneacetic acid, alpha-phenyl-, 3-amino-1-azabicyclo(2.2.2)oct-3-yl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 63716-95-0

System Generated Number

  • 0063716950

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O2.Cl-H

Molecular Formula Fragments

  • C21-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O2.ClH/c22-21(15-23-13-11-18(21)12-14-23)25-20(24)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,18-19H,11-15,22H2;1H

InChIKey

DTPYPFHINYYSCC-UHFFFAOYSA-N

Smiles

C(C(c1ccccc1)c1ccccc1)(=O)O[C@@]1(C2CCN(C1)CC2)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.