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Substance Name: NSC 113423
RN: 21321-03-9
InChIKey: OGONXIUGGALDIV-UHFFFAOYSA-N

Note

  • Inhibitor of dihydrofolate reductase.

Molecular Formula

  • C21-H25-F-N6-O3-S.C2-H6-O3-S

Molecular Weight

  • 570.664
 
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Names and Synonyms

Name of Substance

  • NSC 113423

Synonyms

  • Baker's Antifol
  • Insoluble baker's antifol
  • NSC 113423

Systematic Names

  • 1-(4-(N-(3'-Methyl-4'-fluorosulfonyl)phenyl)propanamide)phenyl-4,6- diamino-1,2-dihydro-2,2-dimethyl-s-triazine ethanesulfonate dihydrate
  • Benzenesulfonyl fluoride, 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-2-methyl-, monoethanesulfonate (9CI)
  • Ethanesulfonic acid, compd. with 4-((3-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-1-oxopropyl)amino)-2-methylbenzenesulfonyl fluoride (1:1) (9CI)
  • Ethanesulfonic acid, compd. with 4-(p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)hydrocinnamamido)-o-toluenesulfonyl fluoride (1:1) (8CI)

Registry Numbers

CAS Registry Number

  • 21321-03-9

System Generated Number

  • 0021321039

Molecular Formulas

Molecular Formula

  • C21-H25-F-N6-O3-S.C2-H6-O3-S

Molecular Formula Fragments

  • C2-H6-O3-S
  • C21-H25-F-N6-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25FN6O3S.C2H6O3S/c1-13-12-15(7-10-17(13)32(22,30)31)25-18(29)11-6-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3;1-2-6(3,4)5/h4-5,7-10,12H,6,11H2,1-3H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)

InChIKey

OGONXIUGGALDIV-UHFFFAOYSA-N

Smiles

C1(=NC(C)(N(c2ccc(cc2)CCC(Nc2ccc(S(F)(=O)=O)c(C)c2)=O)C(=N1)N)C)N.S(=O)(=O)(O)CC