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Substance Name: 2H-Thiopyran-4-acetic acid, tetrahydro-4-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
RN: 102367-44-2
InChIKey: HLFKKQBSKPGODP-UHFFFAOYSA-N

Molecular Formula

  • C17-H25-N-O3-S.Cl-H

Molecular Weight

  • 359.9154
 
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Names and Synonyms

Synonyms

  • 2-(Dimethylamino)ethyl-(4-hydroxy-1-thia-4-cyclohexyl)-phenylacetate hydrochloride
  • Tetrahydro-4-hydroxy-alpha-phenyl-2H-thiopyran-4-acetic acid 2-(dimethylamino)ethyl ester HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102367-44-2

System Generated Number

  • 0102367442

Molecular Formulas

Molecular Formula

  • C17-H25-N-O3-S.Cl-H

Molecular Formula Fragments

  • C17-H25-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO3S.ClH/c1-18(2)10-11-20-21-17(19)16(14-6-4-3-5-7-14)15-8-12-22-13-9-15;/h3-7,15-16H,8-13H2,1-2H3;1H

InChIKey

HLFKKQBSKPGODP-UHFFFAOYSA-N

Smiles

CN(C)CCOOC(=O)C(c1ccccc1)C2CCSCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11330,