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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, N,1,1-trioxide,trans-(+-)-
RN: 119558-28-0
InChIKey: FARFFAFXGJTXOU-PJYWTSEFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O5-S

Molecular Weight

  • 329.4147
 
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Names and Synonyms

Synonyms

  • (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide
  • RTECS XS7000000
  • Tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-2H-thiopyran-4-ol N,1,1-trioxide

Systematic Name

  • 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, N,1,1-trioxide,trans-(+-)-

Registry Numbers

CAS Registry Number

  • 119558-28-0

System Generated Number

  • 0119558280

Structure Descriptors

InChI

1S/C15H23NO5S/c1-11(16(2)18)14-10-22(19,20)8-7-15(14,17)12-5-4-6-13(9-12)21-3/h4-6,9,11,14,17-18H,7-8,10H2,1-3H3/t11?,14-,15-/m1/s1

InChIKey

FARFFAFXGJTXOU-PJYWTSEFSA-N

Smiles

CC([C@H]1CS(=O)(=O)CC[C@]1(c2cccc(c2)OC)O)N(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.