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Substance Name: N-Methyl-4-piperidylisopentynylphenylglycolate
RN: 16862-13-8
InChIKey: AOIZTZNZAHUCIJ-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O3

Molecular Weight

  • 315.41
 
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Names and Synonyms

Name of Substance

  • N-Methyl-4-piperidylisopentynylphenylglycolate

Synonyms

  • 1-Methyl-4-piperidyl phenyl(3-methyl-1-butynyl)glycolate
  • alpha-(3-Methyl-1-butynyl)mandelic acid 1-methyl-4-piperidyl ester
  • BRN 1493814

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-alpha-(3-methyl-1-butynyl)-, 1-methyl-4-piperidinyl ester
  • Mandelic acid, alpha-(3-methyl-1-butynyl)-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 16862-13-8

System Generated Number

  • 0016862138

Structure Descriptors

InChI

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

InChIKey

AOIZTZNZAHUCIJ-UHFFFAOYSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(C#CC(C)C)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#11370,