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Substance Name: 3-Thiopheneacetic acid, tetrahydro-3-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
RN: 102367-36-2
InChIKey: MTQVMOMABKBZJE-UHFFFAOYSA-N

Molecular Formula

  • C16-H23-N-O3-S.Cl-H

Molecular Weight

  • 345.8886
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102367-36-2

System Generated Number

  • 0102367362

Molecular Formulas

Molecular Formula

  • C16-H23-N-O3-S.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO3S.ClH/c1-17(2)9-10-19-20-16(18)15(14-8-11-21-12-14)13-6-4-3-5-7-13;/h3-7,14-15H,8-12H2,1-2H3;1H

InChIKey

MTQVMOMABKBZJE-UHFFFAOYSA-N

Smiles

CN(C)CCOOC(=O)C(c1ccccc1)C2CCSC2.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#11312,