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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-4-(3-methoxyphenyl)-3-((methylamino)methyl)-, hydrochloride, trans-(+-)-
RN: 119558-26-8
InChIKey: KEWWYWINVMRBCB-DSHXVJGRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O2-S.Cl-H

Molecular Weight

  • 303.8518
 
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Names and Synonyms

Synonyms

  • trans-(+-)-4-(3-Methoxyphenyl)-3-(methylaminomethyl)thiacyclohexan-4-ol hydrochloride
  • trans-(+-)-Tetrahydro-4-(3-methoxyphenyl)-3-((methylamino)methyl)-2H-thiopyran-4-ol HCl

Systematic Name

  • 2H-Thiopyran-4-ol, tetrahydro-4-(3-methoxyphenyl)-3-((methylamino)methyl)-, hydrochloride, trans-(+-)-

Registry Numbers

CAS Registry Number

  • 119558-26-8

System Generated Number

  • 0119558268

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2S.ClH/c1-15-9-12-10-18-7-6-14(12,16)11-4-3-5-13(8-11)17-2;/h3-5,8,12,15-16H,6-7,9-10H2,1-2H3;1H/t12-,14+;/m0./s1

InChIKey

KEWWYWINVMRBCB-DSHXVJGRSA-N

Smiles

CNC[C@H]1CSCC[C@]1(c2cccc(c2)OC)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 66mg/kg (66mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.