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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, 1-oxide, hydrochloride, (3-alpha,4-beta)- (+-)-
RN: 119558-27-9
InChIKey: AJFNLQMTJXURTJ-AEAFDAKPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O3-S.Cl-H

Molecular Weight

  • 333.8776
 
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Names and Synonyms

Synonym

  • (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride

Systematic Name

  • 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, 1-oxide, hydrochloride, (3-alpha,4-beta)- (+-)-

Registry Numbers

CAS Registry Number

  • 119558-27-9

System Generated Number

  • 0119558279

Molecular Formulas

Molecular Formula

  • C15-H23-N-O3-S.Cl-H

Molecular Formula Fragments

  • C15-H23-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO3S.ClH/c1-16(2)10-13-11-20(18)8-7-15(13,17)12-5-4-6-14(9-12)19-3;/h4-6,9,13,17H,7-8,10-11H2,1-3H3;1H/t13-,15+,20?;/m0./s1

InChIKey

AJFNLQMTJXURTJ-AEAFDAKPSA-N

Smiles

CN(C)C[C@H]1CS(=O)CC[C@]1(c2cccc(c2)OC)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 214mg/kg (214mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.