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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-4-(4-chlorophenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-
RN: 119581-15-6
InChIKey: DCSIAMGOAKTRLU-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-(4-chlorophenyl)-3-((dimethylamino)methyl)-2H-thiopyran-4-ol HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119581-15-6

System Generated Number

  • 0119581156

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

InChIKey

DCSIAMGOAKTRLU-DSHXVJGRSA-N

Smiles

CN(C)C[C@H]1CSCC[C@]1(c2ccc(cc2)Cl)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60550ug/kg (60.55mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.