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Substance Name: Mandelic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester
RN: 101756-51-8
InChIKey: BEESRXUFFXFIJA-UHFFFAOYSA-N

Molecular Formula

  • C19-H23-N-O3

Molecular Weight

  • 313.395
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(1-butynyl)glycolate
  • 3-Quinuclidyl phenyl(1-butynyl)glycolate B
  • alpha-(1-Butynyl)mandelic acid 3-quinuclidinyl ester

Systematic Name

  • Mandelic acid, alpha-(1-butynyl)-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101756-51-8

System Generated Number

  • 0101756518

Structure Descriptors

InChI

1S/C19H23NO3/c1-2-3-11-19(22,16-7-5-4-6-8-16)18(21)23-17-14-20-12-9-15(17)10-13-20/h4-8,15,17,22H,2,9-10,12-14H2,1H3

InChIKey

BEESRXUFFXFIJA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11417,