Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Mandelic acid, alpha-phenyl-, 2-pyridylmethyl ester, acetate, hydrochloride
RN: 42023-72-3
InChIKey: WFXMXUQTKASDSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H19-N-O4.Cl-H

Molecular Weight

  • 397.856
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Acetic acid, acetoxydiphenyl-, 2-pyridylmethyl ester, hydrochloride
  • F 1175
  • Methanol, 2-pyridyl-, alpha-phenylmandelate acetate hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42023-72-3

System Generated Number

  • 0042023723

Molecular Formulas

Molecular Formula

  • C22-H19-N-O4.Cl-H

Molecular Formula Fragments

  • C22-H19-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H19NO4.ClH/c1-17(24)27-22(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21(25)26-16-20-14-8-9-15-23-20;/h2-15H,16H2,1H3;1H

InChIKey

WFXMXUQTKASDSI-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCc1cccc[n+]1)=O)OC(C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 297, 1973.