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Substance Name: Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
RN: 19060-33-4
InChIKey: HNGJBZFZSZRLDY-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C33-H31-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 888.031
 
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Names and Synonyms

Synonym

  • NSC 101325

Systematic Names

  • Quinolinium, 1-ethyl-6-((4-(((4-(((1-ethylpyridinium-3-yl)amino)carbonyl)phenyl)amino)carbonyl)benzoyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)
  • Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 19060-33-4

System Generated Number

  • 0019060334

Molecular Formulas

Molecular Formula

  • C33-H31-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C33-H31-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C33H29N5O3.2C7H8O3S/c1-3-37-19-6-8-29(22-37)36-33(41)25-13-15-27(16-14-25)34-31(39)23-9-11-24(12-10-23)32(40)35-28-17-18-30-26(21-28)7-5-20-38(30)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H,3-4H2,1-2H3,(H-2,34,35,36,39,40,41);2*2-5H,1H3,(H,8,9,10)

InChIKey

HNGJBZFZSZRLDY-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].[n+]1(cccc2cc(ccc12)NC(c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)CC)=O)CC.c1(S(=O)([O-])=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 9mg/kg (9mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.