Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2H-Thiopyran-4-acetic acid, tetrahydro-4-hydroxy-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 102367-43-1
InChIKey: ACGRFSVBEYLGCK-UHFFFAOYSA-N

Molecular Formula

  • C19-H29-N-O3-S.Cl-H

Molecular Weight

  • 387.969
 
* 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

Synonyms

  • 2-(Diethylamino)ethyl-(4-hydroxy-1-thia-4-cyclohexyl)-penylacetate hydrochloride
  • Tetrahydro-4-hydroxy-alpha-phenyl-2H-thiopyran-4-acetic acid 2-(diethylamino)ethyl ester HCl

Systematic Name

  • 2H-Thiopyran-4-acetic acid, tetrahydro-4-hydroxy-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102367-43-1

System Generated Number

  • 0102367431

Molecular Formulas

Molecular Formula

  • C19-H29-N-O3-S.Cl-H

Molecular Formula Fragments

  • C19-H29-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H29NO3S.ClH/c1-3-20(4-2)12-13-22-23-19(21)18(16-8-6-5-7-9-16)17-10-14-24-15-11-17;/h5-9,17-18H,3-4,10-15H2,1-2H3;1H

InChIKey

ACGRFSVBEYLGCK-UHFFFAOYSA-N

Smiles

CCN(CC)CCOOC(=O)C(c1ccccc1)C2CCSCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11326,