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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-hydroxyphenyl)-, hydrochloride, trans-(+-)-
RN: 119558-39-3
InChIKey: LWGLPVQQSAZFCI-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-Hydroxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol hydrochloride
  • (+-)-trans-Tetrahydro-3-((dimethylamino)methyl)-4-(3-hydroxyphenyl)-2H-thiopyran-4-ol HCl
  • VUFB-15585

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119558-39-3

System Generated Number

  • 0119558393

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

InChIKey

LWGLPVQQSAZFCI-DSHXVJGRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 53900ug/kg (53.9mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.
mouse LD50 oral 430mg/kg (430mg/kg) BEHAVIORAL: ANALGESIA Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.