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Substance Name: Mandelic acid, alpha-(1-propynyl)-, (1-methyl-4-piperidyl)methyl ester, hydrochloride
RN: 92956-06-4
InChIKey: UJUVWGIKJDOTSI-UHFFFAOYSA-N

Molecular Formula

  • C18-H23-N-O3.Cl-H

Molecular Weight

  • 337.845
 
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Names and Synonyms

Synonyms

  • (1-Methyl-4-piperidyl)methyl phenyl(1-propynyl)glycolate hydrochloride
  • alpha-(1-Propynyl)mandelic acid (1-methyl-4-piperidyl)methyl ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-(1-propynyl)-, (1-methyl-4-piperidyl)methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 92956-06-4

System Generated Number

  • 0092956064

Molecular Formulas

Molecular Formula

  • C18-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO3.ClH/c1-3-11-18(21,16-7-5-4-6-8-16)17(20)22-14-15-9-12-19(2)13-10-15;/h4-8,15,21H,9-10,12-14H2,1-2H3;1H

InChIKey

UJUVWGIKJDOTSI-UHFFFAOYSA-N

Smiles

c1([C@@](C(OCC2CC[NH+](C)CC2)=O)(C#CC)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11475,