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Substance Name: 3H-Pyridazino(4,5-b)(1,4)benzothiazin-4(10H)-one, 3-(2-(4-morpholinyl)ethyl)-, N,5,5-trioxide, hydrochloride, hydrate (3:3:1)
RN: 157023-82-0
InChIKey: ZYWZTMDLWHPFSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N4-O5-S.Cl-H.1/3H2-O

Molecular Weight

  • 414.8681
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 157023-82-0

System Generated Number

  • 0157023820

Molecular Formulas

Molecular Formula

  • C16-H18-N4-O5-S.Cl-H.1/3H2-O

Molecular Formula Fragments

  • C16-H18-N4-O5-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H18N4O5S.ClH/c21-16-15-13(18-12-3-1-2-4-14(12)26(15,23)24)11-17-19(16)5-6-20(22)7-9-25-10-8-20;/h1-4,11,18H,5-10H2;1H

InChIKey

ZYWZTMDLWHPFSQ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)Nc3cnn(c(=O)c3S2(=O)=O)CCN4(=O)CCOCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Farmaco. Vol. 49, Pg. 237, 1994.
mouse LD50 oral > 1200mg/kg (1200mg/kg)   Farmaco. Vol. 49, Pg. 237, 1994.