Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenemethanaminium, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis(N,N-bis(3-aminopropyl)-4-methoxy-N-methyl-, chloride (1:2)
RN: 40948-42-3
InChIKey: GGXXCWAZEOQWQY-UHFFFAOYSA-N

Molecular Formula

  • C52-H76-N12-O6.2Cl

Molecular Weight

  • 1036.16
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Benzenemethanaminium, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis(N,N-bis(3-aminopropyl)-4-methoxy-N-methyl-, dichloride
  • EINECS 255-154-3

Systematic Names

  • 3,3'-((3,3'-Dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(imino(1-acetyl-2-oxoethane-1,2-diyl)azo))bis(bis(3-aminopropyl)(p-methoxybenzyl)methylammonium) dichloride
  • Benzenemethanaminium, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis(N,N-bis(3-aminopropyl)-4-methoxy-N-methyl-, chloride (1:2)
  • Benzenemethanaminium, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis(N,N-bis(3-aminopropyl)-4-methoxy-N-methyl-, dichloride

Registry Numbers

CAS Registry Number

  • 40948-42-3

Other Registry Number

  • 77263-03-7

System Generated Number

  • 0040948423

Molecular Formulas

Molecular Formula

  • C52-H76-N12-O6.2Cl

Molecular Formula Fragments

  • C52-H76-N12-O6
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C52H74N12O6.2ClH/c1-35-29-41(15-17-43(35)57-51(67)49(37(3)65)61-59-45-31-39(13-19-47(45)69-7)33-63(5,25-9-21-53)26-10-22-54)42-16-18-44(36(2)30-42)58-52(68)50(38(4)66)62-60-46-32-40(14-20-48(46)70-8)34-64(6,27-11-23-55)28-12-24-56;;/h13-20,29-32,49-50H,9-12,21-28,33-34,53-56H2,1-8H3;2*1H

InChIKey

GGXXCWAZEOQWQY-UHFFFAOYSA-N

Smiles

[ClH-].[ClH-].NCCC[N+](CCCN)(C)Cc1ccc(c(c1)\N=N\[C@@H](C(Nc1c(cc(cc1)c1cc(C)c(cc1)NC([C@@H](\N=N\c1c(OC)ccc(c1)C[N+](CCCN)(CCCN)C)C(C)=O)=O)C)=O)C(C)=O)OC