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Substance Name: Butanoic acid, 4-((4-(dimethylamino)-7,8-dihydro-7,7-dimethyl-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)amino)-, monohydrobromide
RN: 103291-47-0
InChIKey: DJUDKMIKZVFVRB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N5-O2-S.Br-H

Molecular Weight

  • 456.4064
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 103291-47-0

System Generated Number

  • 0103291470

Molecular Formulas

Molecular Formula

  • C18-H25-N5-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H25-N5-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25N5O2S.BrH/c1-18(2)8-11(19-7-5-6-13(24)25)15-12(9-18)22-14-16(23(3)4)20-10-21-17(14)26-15;/h10,19H,5-9H2,1-4H3,(H,24,25);1H

InChIKey

DJUDKMIKZVFVRB-UHFFFAOYSA-N

Smiles

CC1(CC(=C2C(=Nc3c(ncnc3S2)N(C)C)C1)NCCCC(=O)O)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 420mg/kg (420mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 567, 1985.