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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)-pentyl-, monohydrobromide
RN: 103291-39-0
InChIKey: BHXGVAIBMGOIDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N5-S.Br-H

Molecular Weight

  • 454.4778
 
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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)-pentyl-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 103291-39-0

System Generated Number

  • 0103291390

Molecular Formulas

Molecular Formula

  • C20-H31-N5-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H31-N5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31N5S.BrH/c1-6-7-8-9-25(13(2)3)18-16-19(23-12-22-18)26-17-14(21)10-20(4,5)11-15(17)24-16;/h12-13H,6-11,21H2,1-5H3;1H

InChIKey

BHXGVAIBMGOIDJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 271mg/kg (271mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 567, 1985.