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Substance Name: Mandelic acid, alpha-isopropyl-, 1,4-dimethyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, hydrochloride
RN: 101710-99-0
InChIKey: ZEUWFFZFGJFZOO-UHFFFAOYSA-N

Molecular Formula

  • C19-H27-N-O3.Cl-H

Molecular Weight

  • 353.887
 
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Names and Synonyms

Synonym

  • 3-(1,4-Dimethyl-1,2,5,6-tetrahydropyridine)methyl-alpha-isopropyl-alpha-phenylglycolate HCl

Systematic Name

  • Mandelic acid, alpha-isopropyl-, 1,4-dimethyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101710-99-0

System Generated Number

  • 0101710990

Molecular Formulas

Molecular Formula

  • C19-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27NO3.ClH/c1-14(2)19(22,17-8-6-5-7-9-17)18(21)23-13-16-12-20(4)11-10-15(16)3;/h5-9,14,22H,10-13H2,1-4H3;1H

InChIKey

ZEUWFFZFGJFZOO-UHFFFAOYSA-N

Smiles

c1([C@@](C(OCC2=C(CC[N@@H+](C2)C)C)=O)(C(C)C)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 63mg/kg (63mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11930,