Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyrazino(2,1-b)(3)benzazepine, 1,2,3,4,6,7,12,12a-octahydro-, (E)-2-butenedioate (1:1)
RN: 58350-12-2
InChIKey: HBLSCSJGURMZOH-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2.C4-H4-O4

Molecular Weight

  • 318.3708
 
* 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

  • 1,2,3,4,6,7,12,12a-Octahydropyrazino(2,1-b)(3)benzazepine (E)-2-butenedioate (1:1)

Systematic Name

  • Pyrazino(2,1-b)(3)benzazepine, 1,2,3,4,6,7,12,12a-octahydro-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 58350-12-2

System Generated Number

  • 0058350122

Molecular Formulas

Molecular Formula

  • C13-H18-N2.C4-H4-O4

Molecular Formula Fragments

  • C13-H18-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2.C4H4O4/c1-2-4-12-9-13-10-14-6-8-15(13)7-5-11(12)3-1;5-3(6)1-2-4(7)8/h1-4,13-14H,5-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

HBLSCSJGURMZOH-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)CCN3CCNCC3C2.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Indian Journal of Chemistry. Vol. 13, Pg. 893, 1975.