Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cyclohexanecarboxylic acid, 1-(phenylthio)-, 2-morpholinoethyl ester, ethanedioate (1:1)
RN: 101329-97-9
InChIKey: YOHNXDTZVSZCBJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N-O3-S.C2-H2-O4

Molecular Weight

  • 439.5261
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 1-(Phenylthio)cyclohexanecarboxylic acid 2-morpholinoethyl ester oxalate

Systematic Name

  • Cyclohexanecarboxylic acid, 1-(phenylthio)-, 2-morpholinoethyl ester, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 101329-97-9

System Generated Number

  • 0101329979

Molecular Formulas

Molecular Formula

  • C19-H27-N-O3-S.C2-H2-O4

Molecular Formula Fragments

  • C19-H27-N-O3-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27NO3S.C2H2O4/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)24-17-7-3-1-4-8-17;3-1(4)2(5)6/h1,3-4,7-8H,2,5-6,9-16H2;(H,3,4)(H,5,6)

InChIKey

YOHNXDTZVSZCBJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SC2(CCCCC2)C(=O)OCCN3CCOCC3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 105mg/kg (105mg/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 650mg/kg (650mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: TREMOR

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