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Substance Name: 2H-Thipyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-phenyl-, hydrochloride, trans-(+-)-
RN: 119558-29-1
InChIKey: YJVJKMWQSWVVFZ-LMRHVHIWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O-S.Cl-H

Molecular Weight

  • 287.8528
 
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Names and Synonyms

Synonym

  • (+-)-trans-Tetrahydro-3-((dimethylamino)methyl)-4-phenyl-2H-thiopyran-4-ol hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119558-29-1

System Generated Number

  • 0119558291

Molecular Formulas

Molecular Formula

  • C14-H21-N-O-S.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NOS.ClH/c1-15(2)10-13-11-17-9-8-14(13,16)12-6-4-3-5-7-12;/h3-7,13,16H,8-11H2,1-2H3;1H/t13-,14+;/m0./s1

InChIKey

YJVJKMWQSWVVFZ-LMRHVHIWSA-N

Smiles

CN(C)C[C@H]1CSCC[C@]1(c2ccccc2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43300ug/kg (43.3mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.