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Substance Name: 6H-Pyrimido(4,5-b)(1,4)benzothiazine-4,9-diamine, 7,8-dihydro-N(sup 9)-butyl-7,7-dimethyl-N(sup 4)-(1-methylethyl)-, monohydrobromide, hydrate
RN: 103291-38-9
InChIKey: PSCMQOTUGVTKSY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N5-S.Br-H.H2-O

Molecular Weight

  • 458.4658
 
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Names and Synonyms

  • 6H-Pyrimido(4,5-b)(1,4)benzothiazine-4,9-diamine, 7,8-dihydro-N(sup 9)-butyl-7,7-dimethyl-N(sup 4)-(1-methylethyl)-, monohydrobromide, hydrate

Registry Numbers

CAS Registry Number

  • 103291-38-9

System Generated Number

  • 0103291389

Molecular Formulas

Molecular Formula

  • C19-H29-N5-S.Br-H.H2-O

Molecular Formula Fragments

  • Br-H
  • C19-H29-N5-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H29N5S.BrH.H2O/c1-6-7-8-24(12(2)3)17-15-18(22-11-21-17)25-16-13(20)9-19(4,5)10-14(16)23-15;;/h11-12H,6-10,20H2,1-5H3;1H;1H2

InChIKey

PSCMQOTUGVTKSY-UHFFFAOYSA-N

Smiles

CCCCN(c1c2c(ncn1)SC3=C(CC(CC3=N2)(C)C)N)C(C)C.O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 370mg/kg (370mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 567, 1985.