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Substance Name: Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride
RN: 101711-03-9
InChIKey: XMCKOTGZIXIRCY-UHFFFAOYSA-N

Molecular Formula

  • C19-H27-N-O3.Cl-H

Molecular Weight

  • 353.887
 
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Names and Synonyms

Synonym

  • 2-Quinuclidinemethylene-alpha-isopropyl-alpha-phenylglycolate hydrochloride

Systematic Name

  • Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101711-03-9

System Generated Number

  • 0101711039

Molecular Formulas

Molecular Formula

  • C19-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27NO3.ClH/c1-14(2)19(22,16-6-4-3-5-7-16)18(21)23-13-17-12-15-8-10-20(17)11-9-15;/h3-7,14-15,17,22H,8-13H2,1-2H3;1H

InChIKey

XMCKOTGZIXIRCY-UHFFFAOYSA-N

Smiles

[NH+]12[C@@H](CC(CC1)CC2)COC([C@@](c1ccccc1)(C(C)C)O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11915,