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Substance Name: 3-Pentynoic acid, 2-hydroxy-2-(1-propynyl)-, 3-quinuclidinyl ester
RN: 101931-80-0
InChIKey: PSNXEMLZSUPRKP-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-N-O3

Molecular Weight

  • 261.3191
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl di-(1-propynyl)glycolate
  • RTECS SG9954000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101931-80-0

System Generated Number

  • 0101931800

Structure Descriptors

InChI

1S/C15H19NO3/c1-3-7-15(18,8-4-2)14(17)19-13-11-16-9-5-12(13)6-10-16/h12-13,18H,5-6,9-11H2,1-2H3

InChIKey

PSNXEMLZSUPRKP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11678,