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Substance Name: Mandelic acid, alpha-isopropyl-, 2-pyridylmethyl ester
RN: 101711-02-8
InChIKey: FLUMCGBIBFGWKF-UHFFFAOYSA-N

Molecular Formula

  • C17-H19-N-O3

Molecular Weight

  • 285.341
 
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Names and Synonyms

Synonym

  • 2-Pyridinemethyl alpha-isopropyl-alpha-phenylglycolate

Systematic Name

  • Mandelic acid, alpha-isopropyl-, 2-pyridylmethyl ester

Registry Numbers

CAS Registry Number

  • 101711-02-8

System Generated Number

  • 0101711028

Structure Descriptors

InChI

1S/C17H19NO3/c1-13(2)17(20,14-8-4-3-5-9-14)16(19)21-12-15-10-6-7-11-18-15/h3-11,13,20H,12H2,1-2H3

InChIKey

FLUMCGBIBFGWKF-UHFFFAOYSA-N

Smiles

c1([C@@](C(OCc2ccccn2)=O)(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#11853,