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Substance Name: 2-Thiopheneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride
RN: 3512-32-1
InChIKey: RXVAOSKEPZWZSF-UHFFFAOYSA-N

Molecular Formula

  • C20-H23-N-O3-S.Cl-H

Molecular Weight

  • 393.933
 
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Names and Synonyms

Synonyms

  • 4-Diethylamino-2-butynyl phenyl(2-thienyl)glycolate hydrochloride
  • alpha-Phenyl-2-thiopheneglycolic acid 4-(diethylamino)-2-butynyl ester hydrochloride
  • NSC 263545

Systematic Name

  • 2-Thiopheneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3512-32-1

System Generated Number

  • 0003512321

Molecular Formulas

Molecular Formula

  • C20-H23-N-O3-S.Cl-H

Molecular Formula Fragments

  • C20-H23-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO3S.ClH/c1-3-21(4-2)14-8-9-15-24-19(22)20(23,18-13-10-16-25-18)17-11-6-5-7-12-17;/h5-7,10-13,16,23H,3-4,14-15H2,1-2H3;1H

InChIKey

RXVAOSKEPZWZSF-UHFFFAOYSA-N

Smiles

c1(cccs1)[C@@](C(=O)OCC#CCN(CC)CC)(O)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11089,