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Substance Name: Cyclohexanecarbothioic acid, 1-phenyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride
RN: 67238-97-5
InChIKey: XBCYMJKHJFSQQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N-O-S.Cl-H

Molecular Weight

  • 355.971
 
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Names and Synonyms

Synonym

  • 1-Phenylcyclohexanecarbothioic acid S-(2-(diethylamino)ethyl) ester hydrochloride

Systematic Name

  • Cyclohexanecarbothioic acid, 1-phenyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67238-97-5

System Generated Number

  • 0067238975

Molecular Formulas

Molecular Formula

  • C19-H29-N-O-S.Cl-H

Molecular Formula Fragments

  • C19-H29-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H29NOS.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3;1H

InChIKey

XBCYMJKHJFSQQE-UHFFFAOYSA-N

Smiles

CCN(CC)CCSC(=O)C1(CCCCC1)c2ccccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2345, 1946.