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Substance Name: Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride
RN: 101756-45-0
InChIKey: PRIQZSULWYRHSK-UHFFFAOYSA-N

Molecular Formula

  • C21-H25-N-O3.Cl-H

Molecular Weight

  • 375.893
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl benzylphenylglycolate hydrochloride
  • alpha-Benzylmandelic acid 1-methyl-4-piperidyl ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-45-0

System Generated Number

  • 0101756450

Molecular Formulas

Molecular Formula

  • C21-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NO3.ClH/c1-22-14-12-19(13-15-22)25-20(23)21(24,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;/h2-11,19,24H,12-16H2,1H3;1H

InChIKey

PRIQZSULWYRHSK-UHFFFAOYSA-N

Smiles

c1([C@@](Cc2ccccc2)(C(OC2CC[NH+](C)CC2)=O)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11160,