Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-
RN: 101756-49-4
InChIKey: LIJBQSZNKCOTGH-QCDXTXTGSA-N

Molecular Formula

  • C18-H25-N-O3

Molecular Weight

  • 303.4
 
* 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

  • 1-Methyl-4-piperidyl phenyl(1-cis-butenyl)glycolate
  • Z-alpha-(1-Butenyl)mandelic acid 1-methyl-4-piperidyl ester

Systematic Name

  • Mandelic acid, alpha-(1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-

Registry Numbers

CAS Registry Number

  • 101756-49-4

System Generated Number

  • 0101756494

Structure Descriptors

InChI

1S/C18H25NO3/c1-3-4-12-18(21,15-8-6-5-7-9-15)17(20)22-16-10-13-19(2)14-11-16/h4-9,12,16,21H,3,10-11,13-14H2,1-2H3/b12-4-

InChIKey

LIJBQSZNKCOTGH-QCDXTXTGSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(\C=C/CC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11434,