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Substance Name: Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide
RN: 68771-66-4
InChIKey: QHATZNMYGDJZDR-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C33-H32-N8-O3.2I

Molecular Weight

  • 842.4688
 
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Names and Synonyms

  • Pyrimidinium, 2-amino-1,6-dimethyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, diiodide

Registry Numbers

CAS Registry Number

  • 68771-66-4

System Generated Number

  • 0068771664

Molecular Formulas

Molecular Formula

  • C33-H32-N8-O3.2I

Molecular Formula Fragments

  • C33-H32-N8-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C33H30N8O3.2HI/c1-21-19-29(39-33(34)41(21)3)35-25-14-16-27(17-15-25)37-31(43)23-8-6-22(7-9-23)30(42)36-26-12-10-24(11-13-26)32(44)38-28-5-4-18-40(2)20-28;;/h4-20H,1-3H3,(H4-,34,35,36,37,38,39,42,43,44);2*1H

InChIKey

QHATZNMYGDJZDR-UHFFFAOYSA-N

Smiles

Cc1cc(nc(=N)n1C)Nc2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc(cc4)C(=O)Nc5ccc[n+](c5)C.I.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.