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Substance Name: Mandelic acid, alpha-isopropyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, hydrochloride
RN: 101711-01-7
InChIKey: PRIXSTVGPLZOTP-UHFFFAOYSA-N

Molecular Formula

  • C18-H25-N-O3.Cl-H

Molecular Weight

  • 339.86
 
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Names and Synonyms

Synonym

  • 3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl isopropylphenylglycolate hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101711-01-7

System Generated Number

  • 0101711017

Molecular Formulas

Molecular Formula

  • C18-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25NO3.ClH/c1-14(2)18(21,16-9-5-4-6-10-16)17(20)22-13-15-8-7-11-19(3)12-15;/h4-6,8-10,14,21H,7,11-13H2,1-3H3;1H

InChIKey

PRIXSTVGPLZOTP-UHFFFAOYSA-N

Smiles

c1([C@@](C(OCC=2C[N@@H+](CCC2)C)=O)(C(C)C)O)ccccc1.[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#11793,