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Substance Name: Quinolinium, 4-((4-(((4-(2,4-diamino-1-propylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-propyl-, diiodide
RN: 50309-03-0
InChIKey: VMSKEQRBGYBJFI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C32-H35-N7-O.2I

Molecular Weight

  • 787.477
 
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Names and Synonyms

  • Quinolinium, 4-((4-(((4-(2,4-diamino-1-propylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-propyl-, diiodide

Registry Numbers

CAS Registry Number

  • 50309-03-0

System Generated Number

  • 0050309030

Molecular Formulas

Molecular Formula

  • C32-H35-N7-O.2I

Molecular Formula Fragments

  • C32-H35-N7-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C32H33N7O.2HI/c1-3-18-38-20-17-28(26-7-5-6-8-29(26)38)35-24-15-11-23(12-16-24)31(40)36-25-13-9-22(10-14-25)27-21-39(19-4-2)32(34)37-30(27)33;;/h5-17,20-21H,3-4,18-19H2,1-2H3,(H4,33,34,36,37,40);2*1H

InChIKey

VMSKEQRBGYBJFI-UHFFFAOYSA-N

Smiles

[n+]1(ccc(c2ccccc12)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)c1c(nc(n(c1)CCC)=N)N)CCC.[IH-].I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.