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Substance Name: Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester
RN: 101913-73-9
InChIKey: PEBZLKBQSSWGNN-UHFFFAOYSA-N

Molecular Formula

  • C17-H29-N-O3

Molecular Weight

  • 295.42
 
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Names and Synonyms

Synonym

  • 3-Quinuclidyl-n-amyl(isopropentyl)glycolate

Systematic Name

  • Heptanoic acid, 2-hydroxy-2-isopropentyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101913-73-9

System Generated Number

  • 0101913739

Structure Descriptors

InChI

1S/C17H29NO3/c1-4-5-6-9-17(20,13(2)3)16(19)21-15-12-18-10-7-14(15)8-11-18/h14-15,20H,2,4-12H2,1,3H3

InChIKey

PEBZLKBQSSWGNN-UHFFFAOYSA-N

Smiles

C([C@@](CCCCC)(C(C)=C)O)(O[C@@H]1C2CCN(C1)CC2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 71mg/kg (71mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11913,