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Substance Name: Benzoic acid, 4-(4-((((dimethylamino)carbonyl)methylamino)carbonyl)-1-piperazinyl)-, hydrate (4:1)
RN: 80712-35-2
InChIKey: YOOFTFYXWHMXQR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N4-O4.1/4H2-O

Molecular Weight

  • 334.3738
 
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Names and Synonyms

Synonym

  • 1-(4-Carboxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrate (4:1)

Systematic Name

  • Benzoic acid, 4-(4-((((dimethylamino)carbonyl)methylamino)carbonyl)-1-piperazinyl)-, hydrate (4:1)

Registry Numbers

CAS Registry Number

  • 80712-35-2

System Generated Number

  • 0080712352

Molecular Formulas

Molecular Formula

  • C16-H22-N4-O4.1/4H2-O

Molecular Formula Fragments

  • C16-H22-N4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H22N4O4/c1-17(2)15(23)18(3)16(24)20-10-8-19(9-11-20)13-6-4-12(5-7-13)14(21)22/h4-7H,8-11H2,1-3H3,(H,21,22)

InChIKey

YOOFTFYXWHMXQR-UHFFFAOYSA-N

Smiles

CN(C)C(=O)N(C)C(=O)N1CCN(CC1)c2ccc(cc2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4666911,