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Substance Name: 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-methylphenyl)ethyl)-4-pyridinyl)-, monohydrochloride
RN: 151092-54-5
InChIKey: XMXCTKOZAKCXBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N3-O2-S.Cl-H

Molecular Weight

  • 367.8988
 
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Names and Synonyms

  • 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(1,2,3,6-tetrahydro-1-(2-hydroxy-2-(3-methylphenyl)ethyl)-4-pyridinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 151092-54-5

System Generated Number

  • 0151092545

Molecular Formulas

Molecular Formula

  • C17-H21-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H21-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21N3O2S.ClH/c1-12-3-2-4-14(9-12)15(21)10-20-7-5-13(6-8-20)17-19-18-16(22)11-23-17;/h2-5,9,15,21H,6-8,10-11H2,1H3,(H,18,22);1H

InChIKey

XMXCTKOZAKCXBC-UHFFFAOYSA-N

Smiles

Cc1cccc(c1)C(CN2CCC(=CC2)C3=NNC(=O)CS3)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 173mg/kg (173mg/kg)   United States Patent Document. Vol. #5446042,