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Substance Name: Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride
RN: 101710-93-4
InChIKey: VNKAUVLRVFHBCJ-UHFFFAOYSA-N

Molecular Formula

  • C18-H23-N-O3.Cl-H

Molecular Weight

  • 337.845
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101710-93-4

System Generated Number

  • 0101710934

Molecular Formulas

Molecular Formula

  • C18-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO3.ClH/c1-19-11-9-14(10-12-19)13-22-17(20)18(21,16-7-8-16)15-5-3-2-4-6-15;/h2-6,9,16,21H,7-8,10-13H2,1H3;1H

InChIKey

VNKAUVLRVFHBCJ-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(OCC=2CC[N@@H+](C)CC2)=O)O)CC1.[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#11816,