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Substance Name: Hexanoic acid, 6-((4-(dimethylamino)-7,8-dihydro-7,7-dimethyl-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)amino)-, monohydrobromide
RN: 103291-48-1
InChIKey: GWYKWGIHHXXLSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N5-O2-S.Br-H

Molecular Weight

  • 484.46
 
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Names and Synonyms

  • Hexanoic acid, 6-((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

  • 103291-48-1

System Generated Number

  • 0103291481

Molecular Formulas

Molecular Formula

  • C20-H29-N5-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H29-N5-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29N5O2S.BrH/c1-20(2)10-13(21-9-7-5-6-8-15(26)27)17-14(11-20)24-16-18(25(3)4)22-12-23-19(16)28-17;/h12,21H,5-11H2,1-4H3,(H,26,27);1H

InChIKey

GWYKWGIHHXXLSC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 405mg/kg (405mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 567, 1985.