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Substance Name: Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester
RN: 101711-17-5
InChIKey: MWQQUDKRJVZOJN-UHFFFAOYSA-N

Molecular Formula

  • C16-H19-N-O3

Molecular Weight

  • 273.33
 
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Names and Synonyms

Synonyms

  • 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate A
  • 1-Methyl-3-pyrrolidinyl phenyl(1-propynyl)glycolate B
  • alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester

Systematic Name

  • Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-pyrrolidinyl ester

Registry Numbers

CAS Registry Number

  • 101711-17-5

System Generated Number

  • 0101711175

Structure Descriptors

InChI

1S/C16H19NO3/c1-3-10-16(19,13-7-5-4-6-8-13)15(18)20-14-9-11-17(2)12-14/h4-8,14,19H,9,11-12H2,1-2H3

InChIKey

MWQQUDKRJVZOJN-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2CC[N@@](C2)C)=O)(C#CC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 79mg/kg (79mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11437,