Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)
RN: 110406-39-8
InChIKey: BGGLWCRGVNAESW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H30-Cl-N3-O3.C2-H2-O4

Molecular Weight

  • 546.0168
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)

Registry Numbers

CAS Registry Number

  • 110406-39-8

System Generated Number

  • 0110406398

Molecular Formulas

Molecular Formula

  • C25-H30-Cl-N3-O3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H30-Cl-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H30ClN3O3.C2H2O4/c26-20-9-7-19(8-10-20)18-24-22-5-1-2-6-23(22)25(31)29(27-24)21-4-3-12-28(13-11-21)14-16-32-17-15-30;3-1(4)2(5)6/h1-2,5-10,21,30H,3-4,11-18H2;(H,3,4)(H,5,6)

InChIKey

BGGLWCRGVNAESW-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(nn(c2=O)C3CCCN(CC3)CCOCCO)Cc4ccc(cc4)Cl.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4841047,