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Substance Name: Quinolinium, 6-amino-4-(3-amino-p-((p-acetylphenyl)carbamoyl)anilino)-1-ethyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate
RN: 102259-83-6
InChIKey: JHOFJCOPTBSWSH-UHFFFAOYSA-O

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C27-H30-N8-O.C7-H7-O3-S.C7-H8-O3-S

Molecular Weight

  • 859.0172
 
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Names and Synonyms

  • Quinolinium, 6-amino-4-(3-amino-p-((p-acetylphenyl)carbamoyl)anilino)-1-ethyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 102259-83-6

System Generated Number

  • 0102259836

Molecular Formulas

Molecular Formula

  • C27-H30-N8-O.C7-H7-O3-S.C7-H8-O3-S

Molecular Formula Fragments

  • C27-H30-N8-O
  • C7-H7-O3-S
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31N9O2.2C7H8O3S/c1-3-36-13-10-23(21-14-17(28)4-7-24(21)36)32-19-5-6-20(22(29)15-19)25(38)33-18-8-11-27(12-9-18,16(2)37)35-34-26(30)31;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-15,18,35H,3,28H2,1-2H3,(H7,29,30,31,33,34,38);2*2-5H,1H3,(H,8,9,10)/p+1

InChIKey

JHOFJCOPTBSWSH-UHFFFAOYSA-O

Smiles

CC[n+]1ccc(Nc2ccc(C(=O)NC3C=CC(NN=C(N)N)(C=C3)C(=O)C)c(N)c2)c4cc(N)ccc14.Cc5ccc(cc5)S(=O)(=O)O.Cc6ccc(cc6)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.