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Substance Name: beta-Alanine, N-(7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)-, monohydrobromide
RN: 102688-89-1
InChIKey: FNUXFOGPULIBJR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N4-O3-S.Br-H

Molecular Weight

  • 429.3369
 
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Names and Synonyms

  • beta-Alanine, N-(7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 102688-89-1

System Generated Number

  • 0102688891

Molecular Formulas

Molecular Formula

  • C16-H20-N4-O3-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H20-N4-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N4O3S.BrH/c1-16(2)6-9(17-5-4-11(21)22)13-10(7-16)20-12-14(23-3)18-8-19-15(12)24-13;/h8,17H,4-7H2,1-3H3,(H,21,22);1H

InChIKey

FNUXFOGPULIBJR-UHFFFAOYSA-N

Smiles

CC1(CC(=C2C(=Nc3c(ncnc3S2)OC)C1)NCCC(=O)O)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 420mg/kg (420mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

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