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Substance Name: Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride
RN: 42023-70-1
InChIKey: SLNPRBQCRIJHDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N-O4.Cl-H

Molecular Weight

  • 321.758
 
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Names and Synonyms

Synonyms

  • 2-Pyridylmethyl mandelate acetate hydrochloride
  • Benzeneacetic acid, alpha-hydroxy-, (2-pyridylmethyl)ester, acetate, hydrochloride
  • F 1170
  • Methanol, 2-pyridyl-, alpha-acetoxymandelate hydrochloride

Systematic Name

  • Mandelic acid, 2-pyridylmethyl ester, acetate, hydrochloride

Registry Numbers

CAS Registry Number

  • 42023-70-1

System Generated Number

  • 0042023701

Molecular Formulas

Molecular Formula

  • C16-H15-N-O4.Cl-H

Molecular Formula Fragments

  • C16-H15-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H15NO4.ClH/c1-12(18)21-15(13-7-3-2-4-8-13)16(19)20-11-14-9-5-6-10-17-14;/h2-10,15H,11H2,1H3;1H

InChIKey

SLNPRBQCRIJHDV-UHFFFAOYSA-N

Smiles

c1([C@@H](C(OCc2cccc[n+]2)=O)OC(C)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1700mg/kg (1700mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 297, 1973.