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Substance Name: Mandelic acid, alpha-(1-pentynyl)-, 1-methyl-4-piperidyl ester
RN: 92956-51-9
InChIKey: ZUVANWJSGPBCGV-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O3

Molecular Weight

  • 315.41
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl phenyl(1-pentynyl)glycolate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 92956-51-9

System Generated Number

  • 0092956519

Structure Descriptors

InChI

1S/C19H25NO3/c1-3-4-8-13-19(22,16-9-6-5-7-10-16)18(21)23-17-11-14-20(2)15-12-17/h5-7,9-10,17,22H,3-4,11-12,14-15H2,1-2H3

InChIKey

ZUVANWJSGPBCGV-UHFFFAOYSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(C#CCCC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11339,