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Substance Name: Mandelic acid, alpha-(3-methyl-1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-
RN: 101711-04-0
InChIKey: DMLOAPQMGJXCOJ-FMIVXFBMSA-N

Molecular Formula

  • C19-H27-N-O3

Molecular Weight

  • 317.426
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl phenyl(cis-3-methyl-1-butenyl)glycolate
  • RTECS OV6720000

Systematic Name

  • Mandelic acid, alpha-(3-methyl-1-butenyl)-, 1-methyl-4-piperidyl ester, (Z)-

Registry Numbers

CAS Registry Number

  • 101711-04-0

System Generated Number

  • 0101711040

Structure Descriptors

InChI

1S/C19H27NO3/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/h4-9,12,15,17,22H,10-11,13-14H2,1-3H3/b12-9+

InChIKey

DMLOAPQMGJXCOJ-FMIVXFBMSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11783,