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Substance Name: Mandelic acid, alpha-cyclopentyl-, (1-methyl-2-piperidyl) methyl ester, hydrochloride
RN: 101710-85-4
InChIKey: NCLMRAWSZYENDH-UHFFFAOYSA-N

Molecular Formula

  • C20-H29-N-O3.Cl-H

Molecular Weight

  • 367.914
 
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Names and Synonyms

Synonym

  • 2-(1-Methylpiperidine)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, (1-methyl-2-piperidyl) methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-85-4

System Generated Number

  • 0101710854

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

InChIKey

NCLMRAWSZYENDH-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OC[C@@H]2[N@@H+](CCCC2)C)=O)O)CCCC1.[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#11861,