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Substance Name: Mandelic acid, alpha-(1-cyclopentenyl)-, 3-quinuclidinyl ester
RN: 101756-61-0
InChIKey: HRGZDUGJXKGXRU-UHFFFAOYSA-N

Molecular Formula

  • C20-H25-N-O3

Molecular Weight

  • 327.422
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(1-cyclopentenyl)glycolate A
  • 3-Quinuclidyl phenyl(1-cyclopentenyl)glycolate B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101756-61-0

System Generated Number

  • 0101756610

Structure Descriptors

InChI

1S/C20H25NO3/c22-19(24-18-14-21-12-10-15(18)11-13-21)20(23,17-8-4-5-9-17)16-6-2-1-3-7-16/h1-3,6-8,15,18,23H,4-5,9-14H2

InChIKey

HRGZDUGJXKGXRU-UHFFFAOYSA-N

Smiles

c1([C@@](C=2CCCC2)(C(O[C@@H]2C3CCN(C2)CC3)=O)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#11826,