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Substance Name: Acetanilide, 4'-hydroxy-, compd. with o-ethoxybenzamide and caffeine
ID: AE42055000
InChIKey: UKGDBRYHYGAHRZ-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C8-H9-N-O2.C9-H11-N-O2.C8-H10-N4-O2

Molecular Weight

  • 510.548
 
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Names and Synonyms

Synonyms

  • 4'-Hydroxyacetanilide compd. with o-ethoxybenzamide and caffeine
  • NB-6

Systematic Name

  • Acetanilide, 4'-hydroxy-, compd. with o-ethoxybenzamide and caffeine

Registry Numbers

ID Number

  • NIOSH/AE4205500

System Generated Number

  • AE42055000

Molecular Formulas

Molecular Formula

  • C8-H9-N-O2.C9-H11-N-O2.C8-H10-N4-O2

Molecular Formula Fragments

  • C8-H10-N4-O2
  • C8-H9-N-O2
  • C9-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H11NO2.C8H10N4O2.C8H9NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;1-6(10)9-7-2-4-8(11)5-3-7/h3-6H,2H2,1H3,(H2,10,11);4H,1-3H3;2-5,11H,1H3,(H,9,10)

InChIKey

UKGDBRYHYGAHRZ-UHFFFAOYSA-N

Smiles

CCOc1ccccc1C(=O)N.CN2C(=O)N(C)c3ncn(C)c3C2=O.CC(=O)Nc4ccc(O)cc4