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Substance Name: Barbituric acid, 1-(p-chlorophenyl)-5-(diethylamino)-2-thio-, hemihydrate
ID: CQ24402000
InChIKey: DZHQZYIENJZDNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-Cl-N3-O2-S.1/2H2-O

Molecular Weight

  • 669.6516
 
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Names and Synonyms

Synonym

  • 1-(p-Chlorophenyl)-5-(diethylamino)-2-thiobarbituric acid hemihydrate

Systematic Name

  • Barbituric acid, 1-(p-chlorophenyl)-5-(diethylamino)-2-thio-, hemihydrate

Registry Numbers

ID Number

  • NIOSH/CQ2440200

System Generated Number

  • CQ24402000

Molecular Formulas

Molecular Formula

  • C14-H16-Cl-N3-O2-S.1/2H2-O

Molecular Formula Fragments

  • C14-H16-Cl-N3-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C14H16ClN3O2S.H2O/c2*1-3-17(4-2)11-12(19)16-14(21)18(13(11)20)10-7-5-9(15)6-8-10;/h2*5-8,11H,3-4H2,1-2H3,(H,16,19,21);1H2

InChIKey

DZHQZYIENJZDNH-UHFFFAOYSA-N

Smiles

O.CCN(CC)C1C(=O)NC(=S)N(C1=O)c2ccc(Cl)cc2.CCN(CC)C3C(=O)NC(=S)N(C3=O)c4ccc(Cl)cc4