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Substance Name: 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(3-(dimethylamino)propyl)-, N,5,5-trioxide, dihydrate
RN: 126598-51-4
InChIKey: POQJKHRZFVIUDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N4-O4-S.2H2-O

Molecular Weight

  • 350.3972
 
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Names and Synonyms

  • 1H-Pyridazino(4,5-b)(1,4)benzothiazin-1-one, 2,10-dihydro-10-(3-(dimethylamino)propyl)-, N,5,5-trioxide, dihydrate

Registry Numbers

CAS Registry Number

  • 126598-51-4

System Generated Number

  • 0126598514

Molecular Formulas

Molecular Formula

  • C15-H18-N4-O4-S.2H2-O

Molecular Formula Fragments

  • C15-H18-N4-O4-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H18N4O4S/c1-19(2,21)9-5-8-18-11-6-3-4-7-12(11)24(22,23)13-10-16-17-15(20)14(13)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,20)

InChIKey

POQJKHRZFVIUDT-UHFFFAOYSA-N

Smiles

CN(=O)(C)CCCN1c2ccccc2S(=O)(=O)c3c1c(=O)[nH]nc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Farmaco. Vol. 44, Pg. 911, 1989.
mouse LD50 oral > 1200mg/kg (1200mg/kg)   Farmaco. Vol. 44, Pg. 911, 1989.