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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-
RN: 119558-38-2
InChIKey: SJKJHGCCHZJQEM-LMRHVHIWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-F6-N-O-S.Cl-H

Molecular Weight

  • 423.847
 
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Names and Synonyms

  • 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-

Registry Numbers

CAS Registry Number

  • 119558-38-2

System Generated Number

  • 0119558382

Molecular Formulas

Molecular Formula

  • C16-H19-F6-N-O-S.Cl-H

Molecular Formula Fragments

  • C16-H19-F6-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19F6NOS.ClH/c1-23(2)8-13-9-25-4-3-14(13,24)10-5-11(15(17,18)19)7-12(6-10)16(20,21)22;/h5-7,13,24H,3-4,8-9H2,1-2H3;1H/t13-,14+;/m0./s1

InChIKey

SJKJHGCCHZJQEM-LMRHVHIWSA-N

Smiles

CN(C)C[C@H]1CSCC[C@]1(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 139mg/kg (139mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.