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Substance Name: Mandelic acid, alpha-isopropenyl-, 3-quinuclidinyl ester
RN: 92956-19-9
InChIKey: ZHLZZKXWWGQHCL-UHFFFAOYSA-N

Molecular Formula

  • C18-H23-N-O3

Molecular Weight

  • 301.384
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(2-propenyl)glycolate
  • alpha-Isopropenylmandelic acid 3-quinuclidinyl ester
  • NSC 263549

Systematic Name

  • Mandelic acid, alpha-isopropenyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 92956-19-9

System Generated Number

  • 0092956199

Structure Descriptors

InChI

1S/C18H23NO3/c1-13(2)18(21,15-6-4-3-5-7-15)17(20)22-16-12-19-10-8-14(16)9-11-19/h3-7,14,16,21H,1,8-12H2,2H3

InChIKey

ZHLZZKXWWGQHCL-UHFFFAOYSA-N

Smiles

C12[C@@H](OC([C@@](c3ccccc3)(C(C)=C)O)=O)CN(CC1)CC2

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#11661,