Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methoxy-, O-(3-(dimethylamino)propyl)oxime, ethanedioate (2:1)
RN: 55580-06-8
InChIKey: CIRFUWQFKDECKO-RVUOTHGYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H48-N4-O6.C2-H2-O4

Molecular Weight

  • 674.787
 
* 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

Synonym

  • 7-Methoxy-3,4-dihydro-1-benzoxepin-O-(dimethylaminopropyl)-5-one oxime hemioxalate

Systematic Name

  • 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methoxy-, O-(3-(dimethylamino)propyl)oxime, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 55580-06-8

System Generated Number

  • 0055580068

Molecular Formulas

Molecular Formula

  • C32-H48-N4-O6.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C32-H48-N4-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H24N2O3.C2H2O4/c2*1-18(2)9-5-11-21-17-15-6-4-10-20-16-8-7-13(19-3)12-14(15)16;3-1(4)2(5)6/h2*7-8,12H,4-6,9-11H2,1-3H3;(H,3,4)(H,5,6)/b2*17-15+;

InChIKey

CIRFUWQFKDECKO-RVUOTHGYSA-N

Smiles

CN(CCCO/N=C\1/c2c(ccc(c2)OC)OCCC1)C.CN(CCCO/N=C\1/c2c(ccc(c2)OC)OCCC1)C.C(=O)(O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4179516,