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Substance Name: 3-Thiopheneacetic acid, tetrahydro-3-hydroxy-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 102367-35-1
InChIKey: CGDUKMZDTQQFCV-UHFFFAOYSA-N

Molecular Formula

  • C18-H27-N-O3-S.Cl-H

Molecular Weight

  • 373.9422
 
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Names and Synonyms

Synonym

  • 2-(Diethylamino)ethyl-(3-hydroxy-1-thia-3-cyclopentyl)phenylacetate hydrochloride

Systematic Name

  • 3-Thiopheneacetic acid, tetrahydro-3-hydroxy-alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102367-35-1

System Generated Number

  • 0102367351

Molecular Formulas

Molecular Formula

  • C18-H27-N-O3-S.Cl-H

Molecular Formula Fragments

  • C18-H27-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO3S.ClH/c1-3-19(4-2)11-12-21-22-18(20)17(16-10-13-23-14-16)15-8-6-5-7-9-15;/h5-9,16-17H,3-4,10-14H2,1-2H3;1H

InChIKey

CGDUKMZDTQQFCV-UHFFFAOYSA-N

Smiles

CCN(CC)CCOOC(=O)C(c1ccccc1)C2CCSC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11311,