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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-(trifluoromethyl)phenyl)-, hydrochloride, hemihydrate, trans-(+-)-
RN: 119558-35-9
InChIKey: WUWULONJWGXUFL-LMRHVHIWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-F3-N-O-S.Cl-H.1/2H2-O

Molecular Weight

  • 355.8499
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 119558-35-9

System Generated Number

  • 0119558359

Molecular Formulas

Molecular Formula

  • C15-H20-F3-N-O-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C15-H20-F3-N-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H20F3NOS.ClH/c1-19(2)9-13-10-21-7-6-14(13,20)11-4-3-5-12(8-11)15(16,17)18;/h3-5,8,13,20H,6-7,9-10H2,1-2H3;1H/t13-,14+;/m0./s1

InChIKey

WUWULONJWGXUFL-LMRHVHIWSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 73900ug/kg (73.9mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.