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Substance Name: Mandelic acid, alpha-cyclopentyl-, (1-methyl-4-piperidyl)methyl ester, hydrochloride
RN: 101710-86-5
InChIKey: SCVMNXJBRXSTTD-UHFFFAOYSA-N

Molecular Formula

  • C20-H29-N-O3.Cl-H

Molecular Weight

  • 367.914
 
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Names and Synonyms

Synonyms

  • 4-(1-Methyl-1,2,3,6-tetrahydropyridine)methyl alpha-cyclopentyl-alpha-phenylglycolate HCl
  • alpha-Cyclopentylmandelic acid (1-methyl-4-piperidyl)methyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101710-86-5

System Generated Number

  • 0101710865

Molecular Formulas

Molecular Formula

  • C20-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29NO3.ClH/c1-21-13-11-16(12-14-21)15-24-19(22)20(23,18-9-5-6-10-18)17-7-3-2-4-8-17;/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3;1H

InChIKey

SCVMNXJBRXSTTD-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OCC2CC[NH+](C)CC2)=O)O)CCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11796,