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Substance Name: Mandelic acid, alpha-(phenylethynyl)-, 3-quinuclidinyl ester
RN: 92957-17-0
InChIKey: IHKNDYGDKUBCFR-UHFFFAOYSA-N

Molecular Formula

  • C23-H23-N-O3

Molecular Weight

  • 361.439
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(phenylethynyl)glycolate
  • alpha-(Phenylethynyl)mandelic acid 3-quinuclidinyl ester

Systematic Name

  • Mandelic acid, alpha-(phenylethynyl)-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 92957-17-0

System Generated Number

  • 0092957170

Structure Descriptors

InChI

1S/C23H23NO3/c25-22(27-21-17-24-15-12-19(21)13-16-24)23(26,20-9-5-2-6-10-20)14-11-18-7-3-1-4-8-18/h1-10,19,21,26H,12-13,15-17H2

InChIKey

IHKNDYGDKUBCFR-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2C3CCN(C2)CC3)=O)(C#Cc2ccccc2)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11176,