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Substance Name: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(2-methoxyphenyl)-, hydrochloride, hemihydrate, trans-(+-)-
RN: 119558-30-4
InChIKey: NRMVUNXJAGJIKF-NXCSSKFKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O2-S.Cl-H.1/2H2-O

Molecular Weight

  • 317.8786
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 119558-30-4

System Generated Number

  • 0119558304

Molecular Formulas

Molecular Formula

  • C15-H23-N-O2-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C15-H23-N-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H23NO2S.ClH/c1-16(2)10-12-11-19-9-8-15(12,17)13-6-4-5-7-14(13)18-3;/h4-7,12,17H,8-11H2,1-3H3;1H/t12-,15-;/m0./s1

InChIKey

NRMVUNXJAGJIKF-NXCSSKFKSA-N

Smiles

CN(C)C[C@H]1CSCC[C@]1(c2ccccc2OC)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34600ug/kg (34.6mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1340, 1987.