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Substance Name: Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride
RN: 69226-67-1
InChIKey: JDHLEGJGGVSNKM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O-S.Cl-H

Molecular Weight

  • 311.915
 
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Names and Synonyms

Synonyms

  • 2-Propylthiovaleric acid O-ester with 2-(diethylamino)ethanol hydrochloride
  • Dipropylthioacetate de O-diethylaminoethyle
  • Dipropylthioacetate de O-diethylaminoethyle [French]

Systematic Name

  • Valeric acid, 2-propylthio-, O-ester with 2-(diethylamino)ethanol, hydrochloride

Registry Numbers

CAS Registry Number

  • 69226-67-1

System Generated Number

  • 0069226671

Molecular Formulas

Molecular Formula

  • C14-H29-N-O-S.Cl-H

Molecular Formula Fragments

  • C14-H29-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H29NO2S.ClH/c1-5-9-13(18-12-6-2)14(16)17-11-10-15(7-3)8-4;/h13H,5-12H2,1-4H3;1H

InChIKey

JDHLEGJGGVSNKM-UHFFFAOYSA-N

Smiles

CCCC(C(=O)OCCN(CC)CC)SCCC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 184mg/kg (184mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 262, 1975.