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Substance Name: 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester
RN: 101931-78-6
InChIKey: PIQGPSJRLJWWML-UHFFFAOYSA-N

Molecular Formula

  • C15-H23-N-O3

Molecular Weight

  • 265.3507
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-2-isopropyl-3-pentynoic acid 3-quinuclidinyl ester
  • 3-Quinuclidyl isopropyl(1-propynyl)glycolate A
  • 3-Quinuclidyl isopropyl(1-propynyl)glycolate B

Systematic Name

  • 3-Pentynoic acid, 2-hydroxy-2-isopropyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101931-78-6

System Generated Number

  • 0101931786

Structure Descriptors

InChI

1S/C15H23NO3/c1-4-7-15(18,11(2)3)14(17)19-13-10-16-8-5-12(13)6-9-16/h11-13,18H,5-6,8-10H2,1-3H3

InChIKey

PIQGPSJRLJWWML-UHFFFAOYSA-N

Smiles

CC#CC(C(C)C)(C(=O)OC1CN2CCC1CC2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 112mg/kg (112mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11562,