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Substance Name: Butanoic acid, 4-((7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)amino)-, monohydrobromide
RN: 102688-90-4
InChIKey: WCGVXUQJUMBOFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N4-O3-S.Br-H

Molecular Weight

  • 443.364
 
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Names and Synonyms

  • Butanoic acid, 4-((7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)amino)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 102688-90-4

System Generated Number

  • 0102688904

Molecular Formulas

Molecular Formula

  • C17-H22-N4-O3-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H22-N4-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H22N4O3S.BrH/c1-17(2)7-10(18-6-4-5-12(22)23)14-11(8-17)21-13-15(24-3)19-9-20-16(13)25-14;/h9,18H,4-8H2,1-3H3,(H,22,23);1H

InChIKey

WCGVXUQJUMBOFI-UHFFFAOYSA-N

Smiles

C=12C(=C(CC(C2)(C)C)[NH+]CCCC(O)=O)Sc2ncnc(c2N1)OC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 380mg/kg (380mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Pharmaceutical Chemistry Journal Vol. 19, Pg. 459, 1985.