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Substance Name: Heptanoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester
RN: 101913-76-2
InChIKey: JNANCULASNWOHH-UHFFFAOYSA-N

Molecular Formula

  • C17-H27-N-O3

Molecular Weight

  • 293.404
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl-n-amyl(1-propynyl)glycolate A
  • 3-Quinuclidyl-n-amyl(1-propynyl)glycolate B

Systematic Name

  • Heptanoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101913-76-2

System Generated Number

  • 0101913762

Structure Descriptors

InChI

1S/C17H27NO3/c1-3-5-6-10-17(20,9-4-2)16(19)21-15-13-18-11-7-14(15)8-12-18/h14-15,20H,3,5-8,10-13H2,1-2H3

InChIKey

JNANCULASNWOHH-UHFFFAOYSA-N

Smiles

C([C@@](CCCCC)(C#CC)O)(O[C@@H]1C2CCN(C1)CC2)=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#11895,