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Substance Name: Hexanoic acid, 2-((11-oxo-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-5-yl)carbonyl)-, sodium salt
RN: 32152-30-0
InChIKey: HATPKJUIWSKCJI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-N2-O3.Na

Molecular Weight

  • 374.37
 
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Names and Synonyms

Synonyms

  • 2-(11-Oxo-5H-dibenzo(b,e)(1,4)diazepin-5-yl)carbonyl hexanoate sodium salt
  • Sodium 2-((11-oxo-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-5-yl)carbonyl)hexanoate

Systematic Name

  • Hexanoic acid, 2-((11-oxo-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-5-yl)carbonyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 32152-30-0

System Generated Number

  • 0032152300

Molecular Formulas

Molecular Formula

  • C20-H19-N2-O3.Na

Molecular Formula Fragments

  • C20-H19-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H20N2O4.Na/c1-2-3-8-14(20(25)26)19(24)22-16-11-6-4-9-13(16)18(23)21-15-10-5-7-12-17(15)22;/h4-7,9-12,14H,2-3,8H2,1H3,(H,21,23)(H,25,26);/q;+1/p-1

InChIKey

HATPKJUIWSKCJI-UHFFFAOYSA-M

Smiles

[Na+].C([C@@H](C([O-])=O)C(N1c2c(C(=O)Nc3c1cccc3)cccc2)=O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 153, 1971.