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Substance Name: 2-Thiopheneglycolic acid, alpha-(2-methylbut-1-yn-3-en-1-yl)-, 1-methyl-4-piperidyl ester
RN: 102367-40-8
InChIKey: CFEYOBMSSNGRCV-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N-O3-S

Molecular Weight

  • 320.4308
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl-2-thienyl(3-methyl-but-1-yn-3-enyl)glycolate
  • alpha-(2-Methylbut-1-yn-3-en-1-yl)-2-thiopheneglycolic acid 1-methyl-4-piperidyl ester
  • Hexa-3-yn-5-enoic acid, 2-hydroxy-5-methyl-5-(2-thienyl)-, 1-methyl-4-piperidyl ester

Systematic Name

  • 2-Thiopheneglycolic acid, alpha-(2-methylbut-1-yn-3-en-1-yl)-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 102367-40-8

System Generated Number

  • 0102367408

Structure Descriptors

InChI

1S/C17H22NO3S/c1-4-13(2)12-17(20,15-6-5-11-22-15)16(19)21-14-7-9-18(3)10-8-14/h4-6,11,14,20H,1,7-10H2,2-3H3

InChIKey

CFEYOBMSSNGRCV-UHFFFAOYSA-N

Smiles

CC(#CC(c1cccs1)(C(=O)OC2CCN(CC2)C)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#11887,