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Substance Name: Mandelic acid, alpha-cyclopentyl-, 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester, hydrochloride
RN: 101710-88-7
InChIKey: UGBNZJIOJOHWSG-UHFFFAOYSA-N

Molecular Formula

  • C21-H29-N-O3.Cl-H

Molecular Weight

  • 379.925
 
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Names and Synonyms

Synonym

  • alpha-Cyclopentylmandelic acid 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester HCl

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-88-7

System Generated Number

  • 0101710887

Molecular Formulas

Molecular Formula

  • C21-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29NO3.ClH/c1-22-14-11-17(12-15-22)13-16-25-20(23)21(24,19-9-5-6-10-19)18-7-3-2-4-8-18;/h2-4,7-8,11,19,24H,5-6,9-10,12-16H2,1H3;1H

InChIKey

UGBNZJIOJOHWSG-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OCCC=2CC[N@@H+](C)CC2)=O)O)CCCC1.[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#11899,