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Substance Name: Barbituric acid, 5-(2-(dimethylamino)ethyl)-1-(p-ethoxyphenyl)-, hydrate (2:3)
ID: CQ40140000
InChIKey: OZGHZXQHAOUTEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O4.3/2H2-O

Molecular Weight

  • 692.7622
 
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Names and Synonyms

Synonym

  • 5-(2-(Dimethylamino)ethyl)-1-(p-ethoxyphenyl)barbituric acid hydrate (2:3)

Systematic Name

  • Barbituric acid, 5-(2-(dimethylamino)ethyl)-1-(p-ethoxyphenyl)-, hydrate (2:3)

Registry Numbers

ID Number

  • NIOSH/CQ4014000

System Generated Number

  • CQ40140000

Molecular Formulas

Molecular Formula

  • C16-H21-N3-O4.3/2H2-O

Molecular Formula Fragments

  • C16-H21-N3-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C16H21N3O4.3H2O/c2*1-4-23-12-7-5-11(6-8-12)19-15(21)13(9-10-18(2)3)14(20)17-16(19)22;;;/h2*5-8,13H,4,9-10H2,1-3H3,(H,17,20,22);3*1H2

InChIKey

OZGHZXQHAOUTEC-UHFFFAOYSA-N

Smiles

O.O.O.CCOc1ccc(cc1)N2C(=O)NC(=O)C(CCN(C)C)C2=O.CCOc3ccc(cc3)N4C(=O)NC(=O)C(CCN(C)C)C4=O