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Substance Name: SN 6330
RN: 23617-47-2
InChIKey: OCKBDJVXKFRTDV-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C36-H34-N6-O4.2C7-H7-O3-S

Molecular Weight

  • 957.093
 
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Names and Synonyms

Results Name

  • SN 6330

Synonym

  • SN 6330

Systematic Names

  • Pyridinium, 3,3'-((2,3-dimethyl-1,4-phenylene)bis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
  • Pyridinium, 3,3'-((2,3-dimethylterephthaloyl)bis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 23617-47-2

System Generated Number

  • 0023617472

Molecular Formulas

Molecular Formula

  • C36-H34-N6-O4.2C7-H7-O3-S

Molecular Formula Fragments

  • C36-H34-N6-O4
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C36H32N6O4.2C7H8O3S/c1-23-24(2)32(36(46)38-28-15-11-26(12-16-28)34(44)40-30-8-6-20-42(4)22-30)18-17-31(23)35(45)37-27-13-9-25(10-14-27)33(43)39-29-7-5-19-41(3)21-29;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H,1-4H3,(H2-2,37,38,39,40,43,44,45,46);2*2-5H,1H3,(H,8,9,10)

InChIKey

OCKBDJVXKFRTDV-UHFFFAOYSA-N

Smiles

c1(c(c(c(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)C)C)C)C(=O)Nc1ccc(cc1)C(=O)Nc1c[n+](ccc1)C.c1(ccc(cc1)C)S(=O)(=O)[O-].c1(ccc(cc1)C)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 19mg/kg (19mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.