Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetamide, 2-(diethylamino)-N-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-, (E)-2-butenedioate, hydrate (2:2:3)
RN: 95968-41-5
InChIKey: HMEMIUBDKIMUMM-VTHDTUJMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O2.C4-H4-O4.3/2H2-O

Molecular Weight

  • 937.007
 
* 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

  • 5-((N,N-Diethylamino)acetyl)amino-5,11-dihydro-(1)benzoxepino(3,4-b)pyridine fumarate hydrate

Systematic Name

  • Acetamide, 2-(diethylamino)-N-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-, (E)-2-butenedioate, hydrate (2:2:3)

Registry Numbers

CAS Registry Number

  • 95968-41-5

System Generated Number

  • 0095968415

Molecular Formulas

Molecular Formula

  • C19-H23-N3-O2.C4-H4-O4.3/2H2-O

Molecular Formula Fragments

  • C19-H23-N3-O2
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C19H23N3O2.2C4H4O4.3H2O/c2*1-3-22(4-2)12-18(23)21-19-14-9-7-11-20-16(14)13-24-17-10-6-5-8-15(17)19;2*5-3(6)1-2-4(7)8;;;/h2*5-11,19H,3-4,12-13H2,1-2H3,(H,21,23);2*1-2H,(H,5,6)(H,7,8);3*1H2/b;;2*2-1+;;;

InChIKey

HMEMIUBDKIMUMM-VTHDTUJMSA-N

Smiles

C(=O)(/C=C/C(=O)O)O.C(=O)(CN(CC)CC)NC1c2c(nccc2)COc2c1cccc2.O.C(=O)(/C=C/C(=O)O)O.C(=O)(CN(CC)CC)NC1c2c(nccc2)COc2c1cccc2.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   European Patent Application. Vol. #0129879,
mouse LD oral > 300mg/kg (300mg/kg)   European Patent Application. Vol. #0129879,