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Substance Name: 6H-Pyrimido(4,5-b)(1,4)benzothiazine-4,9-diamine, 7,8-dihydro-7,7-dimethyl-N(sup 4)-(1-methylethyl)-N(sup 9)-(phenylmethyl)-, monohydrobromide
RN: 103291-40-3
InChIKey: LJEWBKCAZVVPGN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N5-S.Br-H

Molecular Weight

  • 474.4682
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 103291-40-3

System Generated Number

  • 0103291403

Molecular Formulas

Molecular Formula

  • C22-H27-N5-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C22-H27-N5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27N5S.BrH/c1-14(2)27(12-15-8-6-5-7-9-15)20-18-21(25-13-24-20)28-19-16(23)10-22(3,4)11-17(19)26-18;/h5-9,13-14H,10-12,23H2,1-4H3;1H

InChIKey

LJEWBKCAZVVPGN-UHFFFAOYSA-N

Smiles

CC(C)N(Cc1ccccc1)c2c3c(ncn2)SC4=C(CC(CC4=N3)(C)C)N.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 160mg/kg (160mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 567, 1985.