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Substance Name: Asulacrine isethionate
RN: 80841-48-1
UNII: 649R3P169I
InChIKey: MWXDBWAFWBSGFA-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Mutation Data
  • Reproductive Effect
  • Topoisomerase II Inhibitors

Molecular Formula

  • C2-H6-O4-S.C24-H24-N4-O4-S

Molecular Weight

  • 590.675
 
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Names and Synonyms

Results Name

  • Asulacrine isethionate

Name of Substance

  • Asulacrine isethionate

Synonyms

  • NSC 343499
  • UNII-649R3P169I

Systematic Name

  • Ethanesulfonic acid, 2-hydroxy-, compd. with 9-((2-methoxy-4-((methylsulfonyl)amino)phenyl)amino)-N,5-dimethyl-4-acridinecarboxamide (1:1)

Registry Numbers

CAS Registry Number

  • 80841-48-1

FDA UNII

  • 649R3P169I

System Generated Number

  • 0080841481

Molecular Formulas

Molecular Formula

  • C2-H6-O4-S.C24-H24-N4-O4-S

Molecular Formula Fragments

  • C2-H6-O4-S
  • C24-H24-N4-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H24N4O4S.C2H6O4S/c1-14-7-5-8-16-21(14)27-23-17(9-6-10-18(23)24(29)25-2)22(16)26-19-12-11-15(13-20(19)32-3)28-33(4,30)31;3-1-2-7(4,5)6/h5-13,28H,1-4H3,(H,25,29)(H,26,27);3H,1-2H2,(H,4,5,6)

InChIKey

MWXDBWAFWBSGFA-UHFFFAOYSA-N

Smiles

Cc1cccc2c1nc3c(c2Nc4ccc(cc4OC)NS(=O)(=O)C)cccc3C(=O)NC.C(CS(=O)(=O)O)O