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Substance Name: 2,6-Pyridinedicarboxamide, N,N'-bis(p-nitrophenylamidinoamidino)-1-(p-nitrophenylamidinoamidino)-4-(p-nitrophenylamidinoamidinoimino)-
RN: 74037-45-9
InChIKey: YDKHFPFIXCUCDC-UHFFFAOYSA-N

Molecular Formula

  • C39-H36-N24-O10

Molecular Weight

  • 1000.8714
 
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Names and Synonyms

Synonyms

  • 4-22-00-03259 (Beilstein Handbook Reference)
  • BRN 0383543

Systematic Name

  • 2,6-Pyridinedicarboxamide, N,N'-bis(p-nitrophenylamidinoamidino)-1-(p-nitrophenylamidinoamidino)-4-(p-nitrophenylamidinoamidinoimino)-

Registry Numbers

CAS Registry Number

  • 74037-45-9

System Generated Number

  • 0074037459

Structure Descriptors

InChI

1S/C39H36N24O10/c40-32(48-19-1-9-24(10-2-19)60(66)67)55-35(43)52-23-17-28(30(64)53-37(45)56-33(41)49-20-3-11-25(12-4-20)61(68)69)59(39(47)58-36(44)51-22-7-15-27(16-8-22)63(72)73)29(18-23)31(65)54-38(46)57-34(42)50-21-5-13-26(14-6-21)62(70)71/h1-18H,(H4,40,43,48,55)(H4,44,47,51,58)(H5,41,45,49,53,56,64)(H5,42,46,50,54,57,65)

InChIKey

YDKHFPFIXCUCDC-UHFFFAOYSA-N

Smiles

c1cc(ccc1NC(=N)NC(=N)NC(=O)c2cc(=NC(=N)NC(=N)Nc3ccc(cc3)[N+](=O)[O-])cc(n2C(=N)NC(=N)Nc4ccc(cc4)[N+](=O)[O-])C(=O)NC(=N)NC(=N)Nc5ccc(cc5)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01665,