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Substance Name: 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride
RN: 63704-56-3
InChIKey: PDLXALUJWUUICG-UHFFFAOYSA-N

Molecular Formula

  • C11-H19-N-O3-S.Cl-H

Molecular Weight

  • 293.813
 
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Names and Synonyms

Synonyms

  • 1,4-Pyrone, 2-(2-diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride
  • 2-(2-Diethylaminoethylthio-methyl)-5-hydroxy-1,4-pyrone hydrochloride
  • USAF IN-14

Systematic Name

  • 4H-Pyran-4-one, 2-(diethylaminoethylthiomethyl)-5-hydroxy-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63704-56-3

System Generated Number

  • 0063704563

Molecular Formulas

Molecular Formula

  • C11-H19-N-O3-S.Cl-H

Molecular Formula Fragments

  • C11-H19-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19NO3S.ClH/c1-3-13(4-2)5-6-17-9-10-7-11(14)12(15)8-16-10;/h7-8,15H,3-6,9H2,1-2H3;1H

InChIKey

PDLXALUJWUUICG-UHFFFAOYSA-N

Smiles

c1(c(cc(oc1)CSCCN(CC)CC)=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,