Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Mandelic acid, alpha-propenyl-, 3-quinuclidinyl ester
RN: 101711-16-4
InChIKey: KXULHOPQKUGNIO-WTDSWWLTSA-N

Molecular Formula

  • C18-H23-N-O3

Molecular Weight

  • 301.384
 
* 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

  • 3-Quinuclidyl phenyl(trans-1-propenyl)glycolate
  • alpha-Propenylmandelic acid 3-quinuclidinyl ester

Systematic Name

  • Mandelic acid, alpha-propenyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101711-16-4

System Generated Number

  • 0101711164

Structure Descriptors

InChI

1S/C18H23NO3/c1-2-10-18(21,15-6-4-3-5-7-15)17(20)22-16-13-19-11-8-14(16)9-12-19/h2-7,10,14,16,21H,8-9,11-13H2,1H3/b10-2+

InChIKey

KXULHOPQKUGNIO-WTDSWWLTSA-N

Smiles

c1([C@@](C(O[C@@H]2C3CCN(C2)CC3)=O)(\C=C\C)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11506,