Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperazine, 1-phenyl-4-(2-(alpha-(o-tolyl)benzyloxy)ethyl)-, oxalate, hemihydrate
RN: 74038-02-1
InChIKey: GRWOCTJXIWKJOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N2-O.C2-H2-O4.1/2H2-O

Molecular Weight

  • 1151.222
 
* 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-Phenyl-4-(2-(alpha-(o-tolyl)benzyloxy)ethyl)piperazine oxalate hemihydrate

Systematic Name

  • Piperazine, 1-phenyl-4-(2-(alpha-(o-tolyl)benzyloxy)ethyl)-, oxalate, hemihydrate

Registry Numbers

CAS Registry Number

  • 74038-02-1

System Generated Number

  • 0074038021

Molecular Formulas

Molecular Formula

  • C26-H30-N2-O.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H30-N2-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C26H30N2O.4C2H2O4.H2O/c2*1-22-10-8-9-15-25(22)26(23-11-4-2-5-12-23)29-21-20-27-16-18-28(19-17-27)24-13-6-3-7-14-24;4*3-1(4)2(5)6;/h2*2-15,26H,16-21H2,1H3;4*(H,3,4)(H,5,6);1H2

InChIKey

GRWOCTJXIWKJOG-UHFFFAOYSA-N

Smiles

Cc1ccccc1C(c2ccccc2)OCCN3CCN(CC3)c4ccccc4.Cc1ccccc1C(c2ccccc2)OCCN3CCN(CC3)c4ccccc4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 1557, 1966.