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Substance Name: 1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)
RN: 72208-24-3
InChIKey: BCNZBZUJWPWUFE-UHFFFAOYSA-N

Molecular Formula

  • C20-H23-Br-N3-O2.C-H3-O4-S

Molecular Weight

  • 528.421
 
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Names and Synonyms

Synonyms

  • (3-((4-Amino-3-bromo-1-anthraquinonyl)amino)propyl)trimethylammonium methyl sulfate
  • EINECS 276-473-4

Systematic Names

  • 1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate
  • 1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)
  • 3-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)propyltrimethylammonium methyl sulphate

Registry Numbers

CAS Registry Number

  • 72208-24-3

System Generated Number

  • 0072208243

Molecular Formulas

Molecular Formula

  • C20-H23-Br-N3-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C20-H23-Br-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22BrN3O2.CH4O4S/c1-24(2,3)10-6-9-23-15-11-14(21)18(22)17-16(15)19(25)12-7-4-5-8-13(12)20(17)26;1-5-6(2,3)4/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2-,22,23,25,26);1H3,(H,2,3,4)

InChIKey

BCNZBZUJWPWUFE-UHFFFAOYSA-N

Smiles

C(CCNc1c2C(c3ccccc3C(c2c(c(Br)c1)N)=O)=O)[N+](C)(C)C.S(=O)(=O)(OC)[O-]