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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-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride
RN: 151092-57-8
InChIKey: OBEHINDRUFNQHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N4-O4-S.Cl-H

Molecular Weight

  • 398.8691
 
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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-nitrophenyl)ethyl)-4-pyridinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 151092-57-8

System Generated Number

  • 0151092578

Molecular Formulas

Molecular Formula

  • C16-H18-N4-O4-S.Cl-H

Molecular Formula Fragments

  • C16-H18-N4-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H18N4O4S.ClH/c21-14(12-2-1-3-13(8-12)20(23)24)9-19-6-4-11(5-7-19)16-18-17-15(22)10-25-16;/h1-4,8,14,21H,5-7,9-10H2,(H,17,22);1H

InChIKey

OBEHINDRUFNQHO-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)[N+](=O)[O-])C(CN2CCC(=CC2)C3=NNC(=O)CS3)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 160mg/kg (160mg/kg)   United States Patent Document. Vol. #5446042,