Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Iron(1+), bis(5'-(2-(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)phenyl)diazenyl)-1'-(3-(dimethylamino)propyl)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridiniumato(2-))-, 2-hydroxypropanoate, 2-hydroxypropanoate (1:1:2)
RN: 79135-24-3
InChIKey: RNQNAKHSPPBFJP-LZMXGNCFSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C64-H62-Fe-N20-O12.2C3-H6-O3.C3-H5-O3

Molecular Weight

  • 1628.39
 
* 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

Synonym

  • EINECS 279-073-8

Systematic Names

  • Iron(1+), bis(1-(5-((4-(4,5-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)azo)-1-(3-(dimethylamino)propyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)pyridiniumato(2-))-, salt with 2-hydroxypropanoic acid (1:1), bis(2-hydroxypropanoate) (salt)
  • Iron(1+), bis(5'-((4-(4,5-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)azo)-1'-(3-(dimethylamino)propyl)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridiniumato(2-))-, salt with 2-hydroxypropanoic acid (1:1), bis(2-hydroxypropanoate) (salt)
  • Iron(1+), bis(5'-(2-(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)phenyl)diazenyl)-1'-(3-(dimethylamino)propyl)-1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridiniumato(2-))-, 2-hydroxypropanoate, 2-hydroxypropanoate (1:1:2)

Registry Numbers

CAS Registry Number

  • 79135-24-3

System Generated Number

  • 0079135243

Molecular Formulas

Molecular Formula

  • C64-H62-Fe-N20-O12.2C3-H6-O3.C3-H5-O3

Molecular Formula Fragments

  • C3-H5-O3
  • C3-H6-O3
  • C64-H62-Fe-N20-O12
  • COMPONENT

Structure Descriptors

InChI

1S/2C32H32N10O6.3C3H6O3.Fe/c2*1-20-27(30(44)40(18-8-15-38(3)4)32(46)29(20)39-16-6-5-7-17-39)35-33-22-9-11-23(12-10-22)41-31(45)28(21(2)37-41)36-34-25-14-13-24(42(47)48)19-26(25)43;3*1-2(4)3(5)6;/h2*5-7,9-14,16-17,19,43-44H,8,15,18H2,1-4H3;3*2,4H,1H3,(H,5,6);/q;;;;;+3/p-3/b2*35-33+,36-34+;;;;

InChIKey

RNQNAKHSPPBFJP-LZMXGNCFSA-K

Smiles

c1(c(n(c(c(\N=N\c2ccc(cc2)N2N=C([C@@-](C2=O)\N=N\c2ccc([N+]([O-])=O)cc2[O-])C)c1C)O)CCCN(C)C)=O)[n+]1ccccc1.C(=O)(O)[C@@H](C)O.[Fe+3].C([C@@H](C)O)(=O)[O-].c1([n+]2ccccc2)c(n(c(c(\N=N\c2ccc(cc2)N2N=C([C@@-](C2=O)\N=N\c2ccc([N+]([O-])=O)cc2[O-])C)c1C)O)CCCN(C)C)=O.C(O)([C@@H](O)C)=O