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Substance Name: Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioate (1:1)
RN: 101329-96-8
InChIKey: XGVFCCYFFYQHTD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2-S.C2-H2-O4

Molecular Weight

  • 439.5697
 
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Names and Synonyms

Synonym

  • 1-(Phenylthio)cyclohexanecarboxylic acid 3-(diethylamino)propyl ester oxalate

Systematic Name

  • Cyclohexanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 101329-96-8

System Generated Number

  • 0101329968

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H31-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO2S.C2H2O4/c1-3-21(4-2)16-11-17-23-19(22)20(14-9-6-10-15-20)24-18-12-7-5-8-13-18;3-1(4)2(5)6/h5,7-8,12-13H,3-4,6,9-11,14-17H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

XGVFCCYFFYQHTD-UHFFFAOYSA-N

Smiles

CCN(CC)CCCOC(=O)C1(CCCCC1)Sc2ccccc2.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 47mg/kg (47mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
Polish Journal of Pharmacology and Pharmacy. Vol. 37, Pg. 551, 1985.
mouse LD50 oral 300mg/kg (300mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Polish Journal of Pharmacology and Pharmacy. Vol. 37, Pg. 551, 1985.