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Substance Name: Quinazolinium, 6-amino-1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2)
RN: 50309-00-7
InChIKey: IZPRCXCGHVRMDI-HDWIJETFSA-O

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C28-H27-N7-O.2C7-H7-O3-S

Molecular Weight

  • 820.968
 
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Names and Synonyms

  • Quinazolinium, 6-amino-1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2)

Registry Numbers

CAS Registry Number

  • 50309-00-7

System Generated Number

  • 0050309007

Molecular Formulas

Molecular Formula

  • C28-H27-N7-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C28-H27-N7-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C28H25N7O.2C7H8O3S/c1-34-15-13-24(14-16-34)31-21-8-10-23(11-9-21)33-28(36)19-3-6-22(7-4-19)32-27-25-17-20(29)5-12-26(25)35(2)18-30-27;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-18H,29H2,1-2H3,(H,33,36);2*2-5H,1H3,(H,8,9,10)/p+1/b32-27+;;

InChIKey

IZPRCXCGHVRMDI-HDWIJETFSA-O

Smiles

c1(ccc(C)cc1)S(=O)(=O)O.c1cc(cc[n+]1C)Nc1ccc(cc1)NC(c1ccc(cc1)\N=c1\ncn(c2ccc(cc12)N)C)=O.c1(ccc(cc1)C)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 3mg/kg (3mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.