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Substance Name: Cyclohexaneglycolic acid, alpha-(3-methyl-1-butynyl)-, 2-methyl-3-quinuclidinyl ester
RN: 101564-27-6
InChIKey: QAPPZPYLSRRINH-UHFFFAOYSA-N

Molecular Formula

  • C21-H33-N-O3

Molecular Weight

  • 347.4957
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-quinuclidyl cyclohexyl(3-methyl-1-butynyl)glycolate A
  • 2-Methyl-3-quinuclidyl cyclohexyl(3-methyl-1-butynyl)glycolate B

Systematic Name

  • Cyclohexaneglycolic acid, alpha-(3-methyl-1-butynyl)-, 2-methyl-3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101564-27-6

System Generated Number

  • 0101564276

Structure Descriptors

InChI

1S/C21H33NO3/c1-15(2)9-12-21(24,18-7-5-4-6-8-18)20(23)25-19-16(3)22-13-10-17(19)11-14-22/h15-19,24H,4-8,10-11,13-14H2,1-3H3

InChIKey

QAPPZPYLSRRINH-UHFFFAOYSA-N

Smiles

CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCCC3)O

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#11643,