Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester
RN: 101710-96-7
InChIKey: XNYLQHTXBORYNP-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O3

Molecular Weight

  • 315.41
 
* 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

  • 2-Methyl-3-quinuclidyl phenyl(isopropenyl)glycolate
  • alpha-Isopropenylmandelic acid 2-methyl-3-quinuclidinyl ester

Systematic Name

  • Mandelic acid, alpha-isopropenyl-, 2-methyl-3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101710-96-7

System Generated Number

  • 0101710967

Structure Descriptors

InChI

1S/C19H25NO3/c1-13(2)19(22,16-7-5-4-6-8-16)18(21)23-17-14(3)20-11-9-15(17)10-12-20/h4-8,14-15,17,22H,1,9-12H2,2-3H3

InChIKey

XNYLQHTXBORYNP-UHFFFAOYSA-N

Smiles

C12[C@@H]([C@@H](N(CC1)CC2)C)OC([C@@](c1ccccc1)(C(C)=C)O)=O

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#11715,