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Substance Name: 2-Thiopheneglycolic acid, alpha-(2-methylbut-1-yn-3-en-1-yl)-, 3-quinuclidinyl ester
RN: 102367-41-9
InChIKey: QOOFQTYDAKILNV-UHFFFAOYSA-N

Molecular Formula

  • C18-H21-N-O3-S

Molecular Weight

  • 332.4418
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl-2-thienyl(3-methyl-but-1-yn-3-enyl)glycolate
  • alpha-(2-Methylbut-1-yn-3-en-1-yl)-2-thiopheneglycolic acid 3-quinuclidinyl ester
  • Hexa-3-yn-5-enoic acid, 5-methyl-5-(2-thienyl)-, 3-quinuclidinyl ester

Systematic Name

  • 2-Thiopheneglycolic acid, alpha-(2-methylbut-1-yn-3-en-1-yl)-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 102367-41-9

System Generated Number

  • 0102367419

Structure Descriptors

InChI

1S/C18H22NO3S/c1-3-13(2)11-18(21,16-5-4-10-23-16)17(20)22-15-12-19-8-6-14(15)7-9-19/h3-5,10,14-15,21H,1,6-9,12H2,2H3

InChIKey

QOOFQTYDAKILNV-UHFFFAOYSA-N

Smiles

CC(#CC(c1cccs1)(C(=O)OC2CN3CCC2CC3)O)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11888,