Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Mandelic acid, alpha-isopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester
RN: 93101-83-8
InChIKey: XUJGQKXNYMRRAN-UHFFFAOYSA-N

Molecular Formula

  • C18-H25-N-O3.Cl-H

Molecular Weight

  • 339.86
 
* 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

Synonym

  • 4-(1-Methyl-1,2,3,6-tetrahydropyridyl)methyl isopropylphenylglycolate hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93101-83-8

System Generated Number

  • 0093101838

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

InChIKey

XUJGQKXNYMRRAN-UHFFFAOYSA-N

Smiles

c1([C@@](C(OCC=2CC[N@@H+](C)CC2)=O)(C(C)C)O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11776,