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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-4-(3-chlorophenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-
RN: 119558-33-7
InChIKey: IIDKXKJUBFEXMB-DSHXVJGRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-Cl-N-O-S.Cl-H

Molecular Weight

  • 322.2979
 
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Names and Synonyms

Synonym

  • trans-(+-)-Tetrahydro-4-(3-chlorophenyl)-3-((dimethylamino)methyl)-2H-thiopyran-4-ol HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119558-33-7

System Generated Number

  • 0119558337

Molecular Formulas

Molecular Formula

  • C14-H20-Cl-N-O-S.Cl-H

Molecular Formula Fragments

  • C14-H20-Cl-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20ClNOS.ClH/c1-16(2)9-12-10-18-7-6-14(12,17)11-4-3-5-13(15)8-11;/h3-5,8,12,17H,6-7,9-10H2,1-2H3;1H/t12-,14+;/m0./s1

InChIKey

IIDKXKJUBFEXMB-DSHXVJGRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 54mg/kg (54mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.