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Substance Name: NSC101327
RN: 16758-33-1
UNII: 8362HN1M7H
InChIKey: YHFVRNNMZBFQRP-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

  • NSC101327

Name of Substance

  • SN-5754 Tosylate

Synonyms

  • NSC 101327
  • UNII-8362HN1M7H

Systematic Names

  • Pyridinium, 3,3'-(1,4-phenylenebis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI)
  • Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 16758-33-1

FDA UNII

  • 8362HN1M7H

Related Registry Number

  • 23647-94-1 (Parent)

System Generated Number

  • 0016758331

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

InChIKey

YHFVRNNMZBFQRP-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].c1(S(=O)([O-])=O)ccc(C)cc1.CC[n+]1cc(ccc1)C(Nc1ccc(C(Nc2cccc(C(Nc3ccc(C(Nc4ccc[n+](c4)CC)=O)cc3)=O)c2)=O)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 33mg/kg (33mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.