Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N,N-dimethyl-6-(2-phenylethyl)-, ethanedioate (1:1)
RN: 75643-18-4
InChIKey: WVCWYUAYKIDEHI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N3.C2-H2-O4

Molecular Weight

  • 487.5967
 
* 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

  • Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N,N-dimethyl-6-(2-phenylethyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 75643-18-4

System Generated Number

  • 0075643184

Molecular Formulas

Molecular Formula

  • C27-H31-N3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H31-N3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31N3.C2H2O4/c1-28(2)19-20-29-24(16-15-21-9-4-3-5-10-21)23-12-8-11-22-17-18-30(27(22)23)26-14-7-6-13-25(26)29;3-1(4)2(5)6/h3-14,24H,15-20H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

WVCWYUAYKIDEHI-UHFFFAOYSA-N

Smiles

CN(C)CCN1c2ccccc2N3CCc4c3c(ccc4)C1CCc5ccccc5.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 1380, 1980.