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Substance Name: Mandelic acid, alpha-cyclopropyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride
RN: 101710-91-2
InChIKey: QWIMXOBLUMSMPE-UHFFFAOYSA-N

Molecular Formula

  • C19-H23-N-O3.Cl-H

Molecular Weight

  • 349.856
 
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Names and Synonyms

Synonym

  • 3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl alpha-cyclopropyl-alpha-phenylglycolate hydrochloride

Systematic Name

  • Mandelic acid, alpha-cyclopropyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-91-2

System Generated Number

  • 0101710912

Molecular Formulas

Molecular Formula

  • C19-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO3.ClH/c21-18(23-13-15-12-20-10-8-14(15)9-11-20)19(22,17-6-7-17)16-4-2-1-3-5-16;/h1-5,12,14,17,22H,6-11,13H2;1H

InChIKey

QWIMXOBLUMSMPE-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OCC=2C3CC[N+](C2)CC3)=O)O)CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11865,