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Substance Name: 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(dimethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1)
RN: 157023-79-5
InChIKey: QOEHQINBHXPJEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N4-O4-S.Cl-H.1/2H2-O

Molecular Weight

  • 372.8313
 
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Names and Synonyms

  • 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(dimethylamino)ethyl)-, N,5,5-trioxide,hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 157023-79-5

System Generated Number

  • 0157023795

Molecular Formulas

Molecular Formula

  • C14-H16-N4-O4-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C14-H16-N4-O4-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H16N4O4S.ClH/c1-18(2,20)8-7-17-14(19)13-11(9-15-17)16-10-5-3-4-6-12(10)23(13,21)22;/h3-6,9,16H,7-8H2,1-2H3;1H

InChIKey

QOEHQINBHXPJEC-UHFFFAOYSA-N

Smiles

CN(=O)(C)CCn1c(=O)c2c(cn1)Nc3ccccc3S2(=O)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Farmaco. Vol. 49, Pg. 237, 1994.
mouse LD50 oral 1gm/kg (1000mg/kg)   Farmaco. Vol. 49, Pg. 237, 1994.