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Substance Name: D-Gluconic acid, compound with N,N''-bis(((4-chlorophenyl)amino)iminomethyl)piperazin-1,4-dicarboxamidine (2:1)
RN: 29147-50-0
InChIKey: NDXBATRFHOEXMX-IFWQJVLJSA-N

Molecular Formula

  • C20-H24-Cl2-N10.2C6-H12-O7

Molecular Weight

  • 671.5394
 
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Names and Synonyms

Synonym

  • EINECS 249-472-1

Systematic Name

  • D-Gluconic acid, compound with N,N''-bis(((4-chlorophenyl)amino)iminomethyl)piperazin-1,4-dicarboxamidine (2:1)

Registry Numbers

CAS Registry Number

  • 29147-50-0

System Generated Number

  • 0029147500

Molecular Formulas

Molecular Formula

  • C20-H24-Cl2-N10.2C6-H12-O7

Molecular Formula Fragments

  • C20-H24-Cl2-N10
  • C6-H12-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24Cl2N10.C6H12O7/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;7-1-2(8)3(9)4(10)5(11)6(12)13/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1

InChIKey

NDXBATRFHOEXMX-IFWQJVLJSA-N

Smiles

[H]/N=C(/N/C(=N\[H])/N1CCN(CC1)/C(=N/[H])/N/C(=N/[H])/Nc2ccc(cc2)Cl)\Nc3ccc(cc3)Cl.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O