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Substance Name: Mandelic acid, alpha-benzyl-, 2-piperidinoethyl ester, hydrochloride
RN: 101756-47-2
InChIKey: PSGHVRSSMGXSKM-UHFFFAOYSA-N

Molecular Formula

  • C22-H27-N-O3.Cl-H

Molecular Weight

  • 389.92
 
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Names and Synonyms

Synonyms

  • 2-(1-Piperidyl)ethyl benzylphenylglycolate hydrochloride
  • alpha-Benzylmandelic acid 2-piperidinoethyl ester hydrochloride

Systematic Name

  • Mandelic acid, alpha-benzyl-, 2-piperidinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-47-2

System Generated Number

  • 0101756472

Molecular Formulas

Molecular Formula

  • C22-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO3.ClH/c24-21(26-17-16-23-14-8-3-9-15-23)22(25,20-12-6-2-7-13-20)18-19-10-4-1-5-11-19;/h1-2,4-7,10-13,25H,3,8-9,14-18H2;1H

InChIKey

PSGHVRSSMGXSKM-UHFFFAOYSA-N

Smiles

c1([C@@](Cc2ccccc2)(C(OCC[NH+]2CCCCC2)=O)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11152,