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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(4-(trifluoromethyl)phenyl)-, hydrochloride, trans-(+-)-
RN: 119558-37-1
InChIKey: HRXLXVPKEJCATR-LMRHVHIWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-F3-N-O-S.Cl-H

Molecular Weight

  • 355.8499
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 119558-37-1

System Generated Number

  • 0119558371

Molecular Formulas

Molecular Formula

  • C15-H20-F3-N-O-S.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

HRXLXVPKEJCATR-LMRHVHIWSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 67630ug/kg (67.63mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.