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Substance Name: Mandelic acid, alpha-benzyl-, 2-(3-azabicyclo(3.2.2)non-3-yl)ethyl ester, hydrochloride
RN: 101756-42-7
InChIKey: AILDXWPIPAVOAL-UHFFFAOYSA-N

Molecular Formula

  • C25-H31-N-O3.Cl-H

Molecular Weight

  • 429.985
 
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Names and Synonyms

Synonyms

  • 2-(3-Azabicyclo(3.2.2)non-3-yl)ethyl benzylphenylglycolate hydrohloride
  • alpha-Benzylmandelic acid 2-(3-azabicyclo(3.3.2)non-3-yl)ethyl ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-benzyl-, 2-(3-azabicyclo(3.2.2)non-3-yl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-42-7

System Generated Number

  • 0101756427

Molecular Formulas

Molecular Formula

  • C25-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C25-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31NO3.ClH/c27-24(29-16-15-26-18-21-11-12-22(19-26)14-13-21)25(28,23-9-5-2-6-10-23)17-20-7-3-1-4-8-20;/h1-10,21-22,28H,11-19H2;1H

InChIKey

AILDXWPIPAVOAL-UHFFFAOYSA-N

Smiles

c1([C@@](Cc2ccccc2)(C(OCC[NH+]2CC3CCC(C2)CC3)=O)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11159,