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Substance Name: Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
RN: 53416-95-8
InChIKey: GOALGZZORMYZAZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C28-H29-N9-O.2C7-H7-O3-S

Molecular Weight

  • 849.9897
 
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Names and Synonyms

  • Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)

Registry Numbers

CAS Registry Number

  • 53416-95-8

System Generated Number

  • 0053416958

Molecular Formulas

Molecular Formula

  • C28-H29-N9-O.2C7-H7-O3-S

Molecular Formula Fragments

  • C28-H29-N9-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C28H27N9O.2C7H8O3S/c1-36-12-11-24(21-13-17(29)5-10-25(21)36)33-19-8-9-20(23(30)14-19)27(38)34-18-6-3-16(4-7-18)22-15-37(2)28(32)35-26(22)31;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-15H,29H2,1-2H3,(H6,30,31,32,34,35,38);2*2-5H,1H3,(H,8,9,10)

InChIKey

GOALGZZORMYZAZ-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)[O-].Cn1cc(c(nc1=N)N)c2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.